%chk=000052243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052243

0 1
 O    1.056000      0.9016000     -9.3199998E-02
 O    1.861600       1.101900      -2.240200    
 N   -1.392400      0.2296000       1.202700    
 N    6.728400      -1.531700      0.9886000    
 C   -3.272700     -8.6300001E-02 -0.3213000    
 C   -1.933600     -0.6440000      0.1635000    
 C   -4.237700      7.9400003E-02  0.8664000    
 C   -3.864500     -0.9494000      -1.451900    
 C   -5.691600      8.1799999E-02  0.4117000    
 C   -4.899600      -1.943100     -0.9380000    
 C   -6.075600      -1.239200     -0.2575000    
 C   -1.174200       1.572100      0.6860000    
 C   -2.093800      -2.064400      0.6958000    
 C  -0.1856000       1.471800     -0.4898000    
 C   -2.516600       2.156900      0.2229000    
 C  -0.6046000       2.434100       1.821000    
 C    1.993900      0.7739000      -1.071400    
 C    3.237000      0.1676000     -0.5314000    
 C    4.446200      0.5013000      -1.106300    
 C    3.144900     -0.7101000      0.5295000    
 C    5.614200     -6.7500003E-02 -0.5982000    
 C    4.312800      -1.278800       1.037600    
 C    5.547500     -0.9576000      0.4737000    
 H   -3.191900      0.7424000     -0.9875000    
 H   -1.239300     -0.7583000     -0.6738000    
 H   -4.086300      0.8609000       1.604500    
 H   -4.178000     -0.8021000       1.514300    
 H   -4.369500     -0.3105000      -2.192600    
 H   -3.078500      -1.474800      -2.007800    
 H   -6.357400      0.2606000       1.264100    
 H   -5.850700      0.9135000     -0.2858000    
 H   -5.279300      -2.543000      -1.774000    
 H   -4.465100      -2.659100     -0.2368000    
 H   -6.510600      -1.919500      0.4850000    
 H   -6.867500      -1.043700     -0.9907000    
 H   -1.997000      0.2465000       2.022000    
 H   -1.124100      -2.411200       1.078900    
 H   -2.791300      -2.181500       1.526700    
 H   -2.350200      -2.772800     -9.6600004E-02
 H  -0.5873000      0.9605000      -1.371500    
 H   2.5200000E-02   2.496700     -0.8287000    
 H   -2.663800       2.299800     -0.8567000    
 H   -2.295700       3.242600      0.3357000    
 H   -3.371500       2.237100      0.8778000    
 H   -1.324900       2.543900       2.640600    
 H   0.3067000       1.993500       2.242700    
 H  -0.3435000       3.438600       1.468500    
 H    4.511200       1.195700      -1.938700    
 H    2.195000     -0.9868000      0.9774000    
 H    6.570400      0.1918000      -1.045400    
 H    4.247600      -1.973100       1.871500    
 H    6.680200      -2.178800       1.764300    
 H    7.623800      -1.301000      0.5787000    


%chk=000052243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052243

0 1
O 0.877358 1.122767 0.027119
O 1.752118 1.734033 -2.050129
N -1.640025 0.719362 1.453811
N 6.410389 -2.096534 0.417128
C -3.239043 -0.318902 -0.294826
C -1.941870 -0.439613 0.589760
C -4.542022 -0.129021 0.530167
C -3.383139 -1.505167 -1.311716
C -5.780752 -0.267995 -0.385717
C -4.544468 -2.463341 -0.954705
C -5.909387 -1.718005 -0.949662
C -1.198616 2.054353 0.983450
C -1.945811 -1.696835 1.491931
C -0.319384 1.940029 -0.278479
C -2.382140 3.012241 0.615244
C -0.382189 2.699983 2.135277
C 1.870533 1.100181 -0.966901
C 3.025368 0.263461 -0.575861
C 4.122211 0.155222 -1.473676
C 3.081042 -0.435415 0.661497
C 5.242965 -0.622559 -1.152445
C 4.197786 -1.217111 0.992768
C 5.300809 -1.323982 0.091027
H -3.111634 0.605702 -0.897034
H -1.092327 -0.553481 -0.114015
H -4.533248 0.863657 1.019613
H -4.606771 -0.881791 1.340950
H -3.566566 -1.102806 -2.327962
H -2.429740 -2.067676 -1.375867
H -6.703015 0.012157 0.158431
H -5.679376 0.454031 -1.221122
H -4.578620 -3.308002 -1.670092
H -4.360168 -2.908471 0.042437
H -6.637066 -2.296720 -0.347953
H -6.315485 -1.678733 -1.979359
H -2.210904 0.764735 2.304002
H -0.958063 -1.808282 1.970872
H -2.703673 -1.615759 2.295201
H -2.162555 -2.611961 0.913943
H -0.861275 1.472688 -1.121790
H 0.006228 2.944795 -0.603671
H -2.980040 2.619167 -0.225939
H -2.016878 4.020257 0.340503
H -3.051494 3.122585 1.488364
H -1.003789 2.772069 3.048222
H 0.499991 2.080226 2.361604
H -0.049281 3.721083 1.870597
H 4.070389 0.696281 -2.424607
H 2.236326 -0.355993 1.352135
H 6.081793 -0.695524 -1.855264
H 4.228553 -1.751645 1.950090
H 6.456290 -2.597682 1.299781
H 7.197368 -2.174262 -0.220833


