%chk=000257434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257434

0 1
O -0.919727 -0.686875 0.694253
O -4.742922 2.016960 0.300527
O 6.878265 -0.923423 0.335213
N -3.965826 -1.318516 -0.494193
C -5.097162 -0.728295 -1.283158
C -4.384267 -2.732827 -0.212090
C -6.387711 -1.509420 -0.944048
C -5.928177 -2.797193 -0.236217
C 0.459765 -1.043194 0.252690
C -3.690824 -0.557275 0.771836
C -2.835144 0.639807 0.458665
C 1.357130 0.172275 0.165395
C -1.427874 0.529208 0.376223
C 0.859492 1.424407 0.054326
C -0.591449 1.633055 0.061056
C 0.268925 -1.705359 -1.109666
C 0.856539 -2.024131 1.351151
C 1.759492 2.629270 -0.059992
C -3.373378 1.908129 0.206781
C 2.804503 -0.118081 0.166849
C -1.201557 2.869154 -0.198676
C -2.582404 3.024874 -0.124256
C 2.035402 2.972010 -1.523481
C 3.531301 -0.073474 1.374496
C 3.461576 -0.438900 -1.027188
C 4.892164 -0.349016 1.389428
C 4.832513 -0.721058 -1.037135
C 5.531234 -0.672745 0.173314
C 7.647258 -1.266459 -0.841582
H -4.833159 -0.848602 -2.354317
H -5.208497 0.357144 -1.094616
H -3.963844 -3.111679 0.735734
H -3.954171 -3.353918 -1.026537
H -6.965801 -1.732908 -1.853912
H -7.047150 -0.914518 -0.291420
H -6.337902 -2.853255 0.785192
H -6.280100 -3.696697 -0.764635
H -3.132358 -1.222161 1.472599
H -4.617923 -0.232834 1.295659
H 0.072700 -0.962797 -1.892984
H 1.144640 -2.290575 -1.403602
H -0.604852 -2.373779 -1.092775
H 1.820081 -2.499237 1.133711
H 0.939590 -1.519410 2.321667
H 0.101637 -2.813221 1.462029
H 1.314126 3.499100 0.463725
H 2.721794 2.441812 0.464380
H -0.584601 3.732041 -0.459204
H -3.039482 3.986730 -0.321040
H 2.635243 3.884303 -1.610073
H 1.107857 3.123380 -2.087887
H 2.588732 2.163489 -2.018703
H 3.015653 0.179549 2.301215
H 2.900064 -0.468943 -1.961131
H -5.048228 2.944699 0.144182
H 5.473122 -0.321430 2.308128
H 5.325928 -0.968405 -1.970032
H 7.634761 -0.440686 -1.558470
H 7.274990 -2.195674 -1.282011
H 8.651512 -1.406026 -0.420495


%chk=000257434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257434

0 1
O -0.891911 -0.721736 0.728539
O -4.861228 1.951194 0.309088
O 7.010341 -0.895665 0.522283
N -3.903056 -1.539510 -0.356925
C -4.847506 -0.994641 -1.378860
C -4.552942 -2.826739 0.034257
C -6.293435 -1.317503 -0.866282
C -6.103975 -2.571195 0.052135
C 0.423291 -1.071322 0.076883
C -3.708021 -0.624969 0.821932
C -2.874543 0.591165 0.463924
C 1.364668 0.149986 0.118526
C -1.464238 0.498665 0.368537
C 0.839968 1.420614 0.036302
C -0.628694 1.602957 0.017854
C 0.111579 -1.497142 -1.378782
C 0.914681 -2.260612 0.916303
C 1.733826 2.651640 -0.060301
C -3.454124 1.858427 0.207418
C 2.839178 -0.115957 0.182103
C -1.267812 2.842145 -0.240013
C -2.665778 2.980340 -0.147024
C 1.980025 3.094668 -1.529639
C 3.538411 -0.041738 1.421053
C 3.582236 -0.466040 -0.973039
C 4.917640 -0.303443 1.501605
C 4.969800 -0.735469 -0.912224
C 5.639658 -0.653946 0.332892
C 7.800357 -1.261660 -0.654995
H -4.657563 -1.520703 -2.334855
H -4.675457 0.080878 -1.537442
H -4.155866 -3.186329 0.999017
H -4.311835 -3.584824 -0.736200
H -6.988229 -1.512245 -1.702571
H -6.691082 -0.463184 -0.290910
H -6.461140 -2.366709 1.077279
H -6.659288 -3.449464 -0.322798
H -3.163992 -1.210982 1.582289
H -4.671685 -0.286899 1.263051
H -0.266285 -0.641545 -1.965070
H 1.021351 -1.887889 -1.869103
H -0.663140 -2.284034 -1.373747
H 1.863517 -2.656058 0.517272
H 1.074523 -1.958882 1.965320
H 0.154015 -3.059645 0.892978
H 1.289642 3.489051 0.510578
H 2.711267 2.434804 0.404077
H -0.668376 3.717140 -0.508247
H -3.138800 3.950368 -0.346001
H 2.593276 4.014124 -1.563445
H 1.033194 3.292661 -2.063591
H 2.518681 2.304228 -2.082291
H 2.986060 0.227223 2.328506
H 3.073430 -0.518268 -1.942652
H -5.155268 2.878574 0.131082
H 5.455759 -0.244496 2.452715
H 5.506669 -0.997731 -1.828919
H 7.787990 -0.456733 -1.415857
H 7.436490 -2.204740 -1.107855
H 8.825245 -1.401806 -0.281260


