%chk=000196564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196564

0 1
O 1.830524 0.686908 -0.134754
O 3.764330 1.006763 1.083627
O -0.260360 -1.689754 -0.875213
O 2.619478 -1.440767 2.068386
O -1.281988 -0.348035 0.754934
O 0.031803 -2.525882 2.278667
O 2.861497 3.960574 0.290688
O 3.895302 2.962882 -2.644141
O 3.930537 0.327198 -1.981504
O -7.101425 -0.681037 -1.583471
O -7.507181 -0.175936 0.480099
N -6.747373 -0.426131 -0.442494
C 1.042714 -0.222829 0.661625
C 1.825891 -1.531681 0.892357
C 2.628405 1.662811 0.581899
C 0.848310 -2.710845 1.136092
C 2.843574 2.756723 -0.486622
C 4.159840 2.628694 -1.287078
C -0.200925 -0.459390 -0.228451
C 0.011212 -2.934084 -0.149091
C 4.752961 1.203149 -1.214233
C 4.936467 0.756350 0.246155
C -1.317404 -3.612903 0.110469
C 5.242418 -0.723766 0.376521
C -2.594835 -0.399901 0.363295
C -3.029938 -0.697532 -0.938038
C -3.496015 -0.123271 1.414958
C -4.396469 -0.702601 -1.197178
C -4.855776 -0.134922 1.144903
C -5.305173 -0.420382 -0.161263
H 0.766194 0.252290 1.633955
H 2.489788 -1.738737 0.019450
H 2.116123 2.026027 1.502130
H 1.421671 -3.630969 1.414383
H 1.972463 2.781717 -1.188472
H 4.890854 3.404474 -0.954816
H -0.335634 0.287935 -1.040941
H 0.608023 -3.478142 -0.921344
H 5.725816 1.154760 -1.765788
H 5.711221 1.385533 0.750413
H -1.189030 -4.684600 0.310220
H -1.838274 -3.190881 0.983129
H -1.989481 -3.507177 -0.752527
H 4.808269 -1.138237 1.304963
H 4.839469 -1.311299 -0.462213
H 6.322074 -0.914433 0.415027
H 3.267638 -0.675634 1.979802
H -0.547892 -1.727673 2.183942
H 2.797126 4.743864 -0.304144
H 3.581120 2.157579 -3.140492
H 3.072007 0.134681 -1.499889
H -2.315496 -0.947158 -1.724351
H -3.114435 0.097694 2.411252
H -4.775598 -0.927684 -2.201907
H -5.589219 0.076868 1.933077


%chk=000196564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196564

0 1
O 1.787993 0.651891 -0.109309
O 3.923223 0.888436 0.997049
O -0.217251 -1.956485 -0.691550
O 2.749783 -1.320864 2.208154
O -1.379565 -0.503164 0.879303
O -0.052895 -2.354176 2.581221
O 2.831295 3.963280 0.611663
O 3.986067 3.512897 -2.382269
O 3.625693 0.626580 -2.204423
O -7.061119 -0.383726 -2.071917
O -7.654726 0.167243 0.062359
N -6.777075 -0.151780 -0.831926
C 1.021061 -0.299554 0.734746
C 1.835979 -1.558546 1.110641
C 2.697156 1.567382 0.621170
C 0.855418 -2.695872 1.489412
C 2.870126 2.807156 -0.286782
C 4.170924 2.779258 -1.129870
C -0.237973 -0.664602 -0.090457
C 0.134278 -3.147760 0.190691
C 4.630536 1.331913 -1.393470
C 4.988279 0.648992 -0.058300
C -1.119529 -3.993921 0.410993
C 5.259485 -0.852664 -0.171989
C -2.694166 -0.451773 0.379578
C -3.040370 -0.717213 -0.970740
C -3.684531 -0.103242 1.332740
C -4.386484 -0.611170 -1.365714
C -5.028073 -0.005965 0.939743
C -5.364837 -0.256496 -0.411351
H 0.718438 0.223129 1.662863
H 2.383011 -1.883544 0.195294
H 2.234575 1.865728 1.578024
H 1.447003 -3.538482 1.884894
H 2.007101 2.829851 -0.982201
H 4.957577 3.325394 -0.578939
H -0.379739 0.050921 -0.918882
H 0.859699 -3.696159 -0.438718
H 5.531279 1.349755 -2.031409
H 5.876098 1.164174 0.356477
H -0.844515 -4.943497 0.905276
H -1.848132 -3.480218 1.058554
H -1.595113 -4.226209 -0.556710
H 5.414275 -1.299467 0.824618
H 4.432065 -1.372691 -0.682073
H 6.174961 -1.015179 -0.769411
H 3.366682 -0.573491 1.943014
H -0.710395 -1.671767 2.270053
H 2.930354 4.784823 0.066043
H 3.545310 2.886511 -3.018076
H 2.829584 0.414848 -1.629262
H -2.284454 -1.038195 -1.690597
H -3.382035 0.095100 2.364948
H -4.692543 -0.809581 -2.396185
H -5.814591 0.263392 1.649013


