%chk=000030982.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030982

1 1
 O   -5.331200      -1.216700     -0.9326000    
 O  -8.0399998E-02 -0.2118000       1.181400    
 O   0.4824000      -2.203400      0.1735000    
 O    5.538500      -1.343600     -0.1721000    
 O    5.669900       1.408500     -0.5343000    
 N   -3.670800       1.357000     -9.9299997E-02
 C   -3.262600      5.6899998E-02 -0.8410000    
 C   -3.697700      0.8394000       1.352000    
 C   -4.142300      -1.020900     -0.1767000    
 C   -4.469000     -0.4868000       1.226000    
 C   -1.778400     -0.2374000     -0.5521000    
 C   -2.257700      0.5910000       1.836600    
 C   -1.474200     -0.3858000      0.9476000    
 C   -2.739900       2.547100     -0.3391000    
 C   -5.059900       1.856300     -0.5414000    
 C   -5.045600      -1.711000      -2.233700    
 C   0.7465000      -1.060100      0.5121000    
 C    2.052000     -0.4096000      0.2345000    
 C    3.185700      -1.192900      0.1613000    
 C    2.091100      0.9586000      5.9099998E-02
 C    4.412000     -0.5814000     -9.8800004E-02
 C    3.317500       1.570100     -0.2009000    
 C    4.477900      0.8001000     -0.2799000    
 C    5.385000      -2.747900      2.4700001E-02
 C    5.651200       2.824200     -0.7069000    
 H   -3.416900      0.2382000      -1.906200    
 H   -4.211300       1.575000       1.979900    
 H   -3.632500      -1.989000     -9.7400002E-02
 H   -4.170700      -1.198000       2.004400    
 H   -5.546000     -0.3245000       1.349200    
 H   -1.510300      -1.166500      -1.071500    
 H   -1.135200      0.5226000      -1.010500    
 H   -1.714900       1.538100       1.938800    
 H   -2.282700      0.1870000       2.857700    
 H   -1.740500      -1.402300       1.267600    
 H   -2.773400       2.792600      -1.404800    
 H   -3.100800       3.386700      0.2628000    
 H   -1.715000       2.315300     -5.1500000E-02
 H   -5.292600       2.760400      2.9800000E-02
 H   -5.014900       2.076700      -1.612000    
 H   -5.824100       1.104800     -0.3464000    
 H   -5.946300      -2.211600      -2.601900    
 H   -4.230900      -2.442400      -2.231600    
 H   -4.831000     -0.8931000      -2.926100    
 H    3.074000      -2.260000      0.3158000    
 H    1.200100       1.578100      0.1024000    
 H    3.292900       2.646200     -0.3337000    
 H    6.379500      -3.196600     -6.9899999E-02
 H    4.758500      -3.198800     -0.7525000    
 H    5.028400      -2.977500       1.034600    
 H    5.327700       3.337800      0.2050000    
 H    5.060700       3.116400      -1.581900    
 H    6.682200       3.139000     -0.8999000    


%chk=000030982-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030982

1 1
O -5.493536 -1.540700 -0.375752
O -0.078525 0.580628 0.432212
O 0.437458 -1.621520 -0.154182
O 5.672066 -1.438256 -0.502307
O 6.335547 1.020413 0.149972
N -4.121089 1.352543 -0.364525
C -3.591901 0.015572 -0.982380
C -3.760282 1.106354 1.141737
C -4.164704 -1.063903 -0.002194
C -4.298104 -0.331149 1.368614
C -2.051810 0.016950 -0.969135
C -2.230848 1.193421 1.334789
C -1.487216 0.147109 0.473760
C -3.504101 2.607568 -0.960999
C -5.639888 1.475190 -0.544133
C -5.488607 -2.624284 -1.374955
C 0.853722 -0.463562 0.113367
C 2.248465 -0.008568 0.140536
C 3.257257 -0.959510 -0.197910
C 2.613545 1.314406 0.489072
C 4.612582 -0.595761 -0.190305
C 3.970963 1.688307 0.501238
C 4.980248 0.752393 0.166118
C 5.351123 -2.825900 -0.862026
C 6.784112 2.374139 0.512762
H -4.001401 -0.077004 -2.002781
H -4.282934 1.870159 1.741353
H -3.460114 -1.917859 0.044082
H -3.730699 -0.836127 2.165447
H -5.359158 -0.339477 1.664840
H -1.697756 -0.935740 -1.400073
H -1.640248 0.817673 -1.608073
H -1.845634 2.205384 1.121541
H -2.018006 1.010647 2.403088
H -1.521645 -0.849046 0.953968
H -3.727347 2.628086 -2.039079
H -3.960370 3.484078 -0.474345
H -2.419466 2.630297 -0.814202
H -6.003367 2.278451 0.116060
H -5.842444 1.736762 -1.594523
H -6.125574 0.517869 -0.313136
H -6.541834 -2.910927 -1.507534
H -4.910684 -3.493124 -1.005097
H -5.072746 -2.290076 -2.346759
H 2.943566 -1.973950 -0.458710
H 1.840698 2.040204 0.753076
H 4.244643 2.710715 0.775243
H 6.323877 -3.297272 -1.059002
H 4.722042 -2.867043 -1.771893
H 4.842442 -3.346547 -0.028274
H 6.494515 2.622685 1.550955
H 6.378473 3.127784 -0.187981
H 7.878695 2.336019 0.428635


