%chk=000236614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236614

0 1
O 0.104362 -0.734025 0.055096
O -6.257576 0.086607 -0.948760
O 1.172717 0.421865 -1.644702
N -3.533254 -0.344659 -0.202237
C -2.199815 -1.021443 -0.271873
C -3.884127 0.290292 -1.515880
C -4.605605 -1.315778 0.195690
C -1.124059 0.044866 -0.018363
C 1.308486 -0.034446 -0.289025
C -5.232414 1.012156 -1.365296
C -5.937389 -0.555127 0.302479
C 1.511254 1.222319 0.540999
C 2.432944 -1.040746 -0.112925
C 1.368621 1.141701 1.933780
C 3.700593 -0.733290 -0.628436
C 1.855393 2.437772 -0.061718
C 2.224196 -2.245621 0.567916
C 1.001386 -0.613791 -2.636345
C 1.569152 2.278861 2.719282
C 4.754767 -1.634198 -0.463085
C 2.054511 3.573775 0.729168
C 3.283025 -3.144593 0.730694
C 1.912402 3.495170 2.117748
C 4.546877 -2.840011 0.216584
H -2.121704 -1.799610 0.519906
H -2.004226 -1.543734 -1.231766
H -3.090674 1.023639 -1.774288
H -3.940962 -0.441913 -2.349879
H -4.711632 -2.161467 -0.516987
H -4.339392 -1.744733 1.185353
H -1.251575 0.552963 0.952665
H -1.048376 0.788076 -0.829759
H -5.175297 1.837691 -0.633892
H -5.621290 1.378559 -2.330991
H -6.795581 -1.233658 0.448115
H -5.908682 0.208139 1.100281
H 1.100272 0.190041 2.394515
H 3.854759 0.209166 -1.155498
H 1.960114 2.492319 -1.147719
H 1.232836 -2.477004 0.964141
H 1.953535 -1.129756 -2.794053
H 0.221511 -1.315399 -2.322934
H 0.701122 -0.049062 -3.524930
H 1.459284 2.218063 3.800429
H 5.739555 -1.396378 -0.860871
H 2.320574 4.519577 0.260990
H 3.121134 -4.081725 1.259906
H 2.068896 4.380041 2.732234
H 5.370650 -3.539790 0.345840


%chk=000236614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236614

0 1
O 0.110227 -0.799148 -0.015515
O -6.359957 0.200335 -0.919383
O 1.312763 0.345163 -1.764084
N -3.597928 -0.310236 -0.156239
C -2.281674 -0.991017 -0.170651
C -3.936426 0.336256 -1.452175
C -4.698299 -1.219360 0.259631
C -1.120766 0.012995 -0.121118
C 1.351001 -0.086779 -0.357655
C -5.266807 1.096999 -1.329835
C -6.016317 -0.435270 0.363891
C 1.501481 1.194641 0.476756
C 2.496888 -1.081079 -0.115959
C 1.512741 1.079335 1.889516
C 3.821958 -0.658591 -0.391111
C 1.612578 2.472415 -0.117910
C 2.269693 -2.396587 0.350136
C 1.214364 -0.754999 -2.736855
C 1.633239 2.228969 2.698179
C 4.906099 -1.541956 -0.204892
C 1.736094 3.624427 0.693398
C 3.357321 -3.280592 0.539955
C 1.746337 3.507879 2.101624
C 4.677193 -2.858373 0.262915
H -2.214860 -1.632619 0.727722
H -2.155964 -1.657671 -1.060675
H -3.139552 1.050002 -1.729691
H -4.019837 -0.423069 -2.271686
H -4.833540 -2.061144 -0.466181
H -4.450898 -1.654188 1.246536
H -1.222672 0.671337 0.761613
H -1.066439 0.637947 -1.032441
H -5.155830 1.916647 -0.587517
H -5.577111 1.514722 -2.301916
H -6.860893 -1.104653 0.597306
H -5.924325 0.341415 1.153634
H 1.428051 0.087313 2.347719
H 3.996142 0.362939 -0.747705
H 1.602869 2.550470 -1.208196
H 1.244999 -2.713750 0.560502
H 2.153971 -1.337011 -2.777725
H 0.376056 -1.430632 -2.484979
H 1.032119 -0.266938 -3.706967
H 1.641568 2.129655 3.789480
H 5.926686 -1.205238 -0.419165
H 1.824175 4.611362 0.224866
H 3.172959 -4.297873 0.903924
H 1.842922 4.401522 2.728690
H 5.518900 -3.544274 0.411832


