%chk=000107990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107990

0 1
 O   -3.569300      0.9639000      0.5470000    
 O   -3.537000      -1.034700       1.705100    
 O   -7.221100      0.6453000      0.7871000    
 N  -0.7355000      -2.606200     -0.9896000    
 N    4.348000      0.2465000      0.5727000    
 C   7.8800000E-02 -0.2573000      -1.241100    
 C   0.4775000      -1.764800     -0.9578000    
 C  -0.9974000      0.2159000     -0.2546000    
 C    1.386900      -1.966900      0.3179000    
 C   -2.188600     -0.7393000     -0.2671000    
 C    1.290100      0.6480000      -1.176200    
 C   -1.755900      -2.187400     -2.3600001E-02
 C    2.373200      0.2272000     -0.3977000    
 C    2.502200     -0.9750000      0.3259000    
 C    3.520000      0.9824000     -0.2470000    
 C    3.739200     -0.9420000      0.9262000    
 C  -0.4492000      -4.032700     -0.8669000    
 C    1.405800       1.894500      -1.799500    
 C   -3.168900     -0.3176000      0.7846000    
 C    5.668000      0.6469000       1.009000    
 C    3.655500       2.224900     -0.8676000    
 C    2.570000       2.663100      -1.647000    
 C    6.752800     -0.3026000      0.4965000    
 C    5.741300      0.8194000       2.527300    
 C   -4.896300       1.283200      0.9772000    
 C   -5.914900      0.3647000      0.2879000    
 C   -5.151100       2.759800      0.6976000    
 C   -5.923900      0.5406000      -1.226300    
 H  -0.3266000     -0.2077000      -2.261800    
 H    1.095400      -2.066000      -1.818600    
 H  -0.5853000      0.2910000      0.7613000    
 H   -1.316600       1.231300     -0.5238000    
 H    1.805700      -2.979500      0.3252000    
 H   0.8029000      -1.839100       1.235900    
 H   -2.698700     -0.6873000      -1.238100    
 H   -1.398300      -2.322200       1.005400    
 H   -2.640100      -2.830700     -0.1285000    
 H    4.235500      -1.656900       1.568700    
 H   0.3076000      -4.342600      -1.596000    
 H   -1.348600      -4.619600      -1.084900    
 H  -0.1030000      -4.309300      0.1346000    
 H   0.5902000       2.277400      -2.407500    
 H    5.875300       1.628800      0.5698000    
 H    4.543700       2.836900     -0.7648000    
 H    2.634900       3.628300      -2.144700    
 H    7.748500      7.5400002E-02  0.7519000    
 H    6.699900     -0.4046000     -0.5931000    
 H    6.654000      -1.303500      0.9303000    
 H    5.597800     -0.1318000       3.051300    
 H    4.970500       1.513800       2.879600    
 H    6.716700       1.220000       2.823500    
 H   -4.959500       1.147300       2.065100    
 H   -5.716000     -0.6875000      0.5097000    
 H   -4.426200       3.368100       1.251200    
 H   -4.999000       3.007600     -0.3578000    
 H   -6.152500       3.075600       1.001900    
 H   -6.287900       1.528800      -1.525500    
 H   -6.617900     -0.1792000      -1.675800    
 H   -4.936900      0.3770000      -1.666900    
 H   -7.523800       1.487500      0.4086000    


%chk=000107990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107990

0 1
O -3.911107 0.606489 0.019069
O -3.603113 -1.106317 1.581681
O -7.448343 1.054643 1.235603
N -0.555752 -2.755242 -1.025204
N 4.439415 0.333352 0.660619
C 0.183446 -0.403957 -1.285799
C 0.633159 -1.868481 -0.947839
C -0.966596 0.049008 -0.342324
C 1.447009 -1.988971 0.401085
C -2.150792 -0.958655 -0.425753
C 1.356089 0.566731 -1.233654
C -1.663927 -2.390935 -0.117855
C 2.430397 0.211203 -0.390007
C 2.566941 -0.977375 0.405649
C 3.595181 1.020940 -0.228468
C 3.807136 -0.879471 1.034905
C -0.250209 -4.196088 -1.020008
C 1.468509 1.786329 -1.929298
C -3.274057 -0.544598 0.510788
C 5.774501 0.785119 1.118075
C 3.703815 2.251654 -0.921459
C 2.626671 2.610445 -1.764848
C 6.887412 -0.171915 0.629043
C 5.805774 0.975381 2.652760
C -5.016535 1.198731 0.848073
C -6.361482 0.606853 0.339529
C -4.872693 2.717244 0.725832
C -6.676319 0.911983 -1.132490
H -0.230114 -0.437863 -2.314092
H 1.320372 -2.184709 -1.758837
H -0.597277 0.113589 0.700017
H -1.311169 1.058241 -0.629220
H 1.829648 -3.022016 0.503036
H 0.766420 -1.819678 1.260058
H -2.537611 -0.927492 -1.463128
H -1.396963 -2.460875 0.963965
H -2.490051 -3.107644 -0.281668
H 4.297537 -1.566969 1.721906
H 0.547143 -4.406493 -1.755866
H -1.149603 -4.764677 -1.320703
H 0.082148 -4.593786 -0.029764
H 0.671640 2.112408 -2.608818
H 5.934209 1.771765 0.644706
H 4.575062 2.909147 -0.828576
H 2.685217 3.554457 -2.319223
H 7.881447 0.221868 0.908309
H 6.850524 -0.288001 -0.468007
H 6.778093 -1.172541 1.085208
H 5.667901 0.011487 3.175480
H 5.005548 1.661812 2.979331
H 6.779176 1.394196 2.966102
H -4.877881 0.864716 1.892425
H -6.325837 -0.484340 0.502655
H -3.905182 3.041643 1.144424
H -4.917749 3.047327 -0.326188
H -5.671720 3.224027 1.297631
H -6.821078 1.996744 -1.301520
H -7.600541 0.390444 -1.435008
H -5.850204 0.577021 -1.783881
H -7.721737 1.969193 0.967741


