%chk=000207528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207528

0 1
O 2.470762 0.905688 2.286833
O 0.524490 2.049992 2.468538
O -6.786034 -0.380439 -1.302045
O -6.027962 1.172311 0.000879
N 4.572307 -0.973086 -0.111577
N 0.673744 0.001052 1.238624
N -0.596484 -0.038388 0.810590
N -3.429242 -0.069602 -0.035692
N -2.953864 -1.983081 -1.193312
N -5.896715 0.150054 -0.658494
C 2.997596 -0.295575 1.601478
C 4.053281 0.225170 0.612420
C 1.774320 -0.964849 0.944957
C 4.685831 -0.748892 -1.590749
C 5.870253 -1.446266 0.479122
C 1.126513 1.109590 2.042576
C 3.308360 -0.521662 -2.214469
C 6.113068 -2.906903 0.100143
C -1.047985 -1.014633 0.065597
C -2.444098 -0.995161 -0.359513
C -4.603214 -0.491138 -0.691213
C -3.280501 1.111188 0.816530
C -4.267725 -1.680914 -1.398317
H 3.436593 -0.901367 2.419894
H 3.589625 0.964230 -0.077238
H 4.828513 0.797894 1.167098
H 1.558961 -1.961729 1.381592
H 1.919664 -1.108630 -0.157042
H 5.137378 -1.671095 -2.025952
H 5.367151 0.090593 -1.848099
H 5.803002 -1.365480 1.587208
H 6.735163 -0.820552 0.167935
H 3.302809 -0.815675 -3.270698
H 2.997120 0.527741 -2.166837
H 2.535023 -1.120103 -1.703626
H 6.957303 -3.321967 0.661929
H 6.333243 -3.026588 -0.967060
H 5.230926 -3.524960 0.315604
H -0.492402 -1.892851 -0.305329
H -2.933941 0.823702 1.830193
H -2.520011 1.803352 0.400574
H -4.237222 1.667519 0.920535
H -4.933502 -2.275391 -2.012391


%chk=000207528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207528

0 1
O 2.532420 0.985385 2.338770
O 0.527260 2.181780 2.539324
O -6.843905 -0.744360 -1.254639
O -6.207638 1.028778 0.047430
N 4.566974 -0.927988 -0.216672
N 0.698275 0.160331 1.268057
N -0.617760 0.144849 0.906177
N -3.488356 -0.069963 0.042340
N -2.867459 -2.004373 -1.031811
N -5.950832 -0.074600 -0.594160
C 3.006806 -0.218695 1.574668
C 4.047187 0.239176 0.533942
C 1.733702 -0.846757 0.946328
C 4.934823 -0.604227 -1.626026
C 5.660000 -1.635774 0.514409
C 1.164476 1.221987 2.093671
C 3.717692 -0.410346 -2.548444
C 5.772359 -3.123347 0.133109
C -1.062565 -0.859030 0.166459
C -2.444564 -0.949684 -0.250969
C -4.621366 -0.611347 -0.594572
C -3.373460 1.162061 0.859812
C -4.207600 -1.795406 -1.243131
H 3.462121 -0.887211 2.322763
H 3.551278 0.937827 -0.163815
H 4.845158 0.815695 1.056070
H 1.476702 -1.826518 1.390532
H 1.864019 -0.978985 -0.142737
H 5.532814 -1.448991 -2.011403
H 5.594105 0.297809 -1.671976
H 5.449399 -1.564620 1.598189
H 6.641738 -1.125258 0.355344
H 4.052249 -0.209936 -3.582796
H 3.086257 0.443165 -2.239221
H 3.091545 -1.320139 -2.555996
H 6.569108 -3.612267 0.723414
H 6.019292 -3.259718 -0.934883
H 4.817764 -3.642305 0.328975
H -0.450713 -1.699550 -0.195724
H -2.983790 0.906791 1.857250
H -2.653750 1.850844 0.390663
H -4.363896 1.625927 0.933261
H -4.825773 -2.467912 -1.830786


