%chk=000244986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244986

0 1
O 0.201319 -0.003670 1.827239
O 0.299974 -2.649889 -1.838150
N -0.277851 -0.918717 -0.359892
C 0.451771 0.145436 0.435321
C 1.914085 -0.125342 0.069570
C 1.993290 -1.213744 -0.828489
C 0.015913 1.559433 0.091884
C 0.621113 -1.734532 -1.118209
C -1.708581 -1.043477 -0.350992
C 3.053600 0.533045 0.492524
C 3.210676 -1.657193 -1.316471
C -0.186414 1.925849 -1.246026
C -0.150966 2.505758 1.112437
C 0.549298 -1.282404 2.445335
C 4.295951 0.084901 -0.000857
C 4.374131 -0.988789 -0.887666
C -2.360006 -1.790968 -1.350455
C -2.460264 -0.414781 0.661457
C -0.554628 3.237350 -1.558207
C -0.519924 3.815299 0.793843
C 0.300886 -1.031723 3.920024
C -0.721262 4.182394 -0.540563
C -3.751480 -1.897009 -1.331680
C -3.850039 -0.528715 0.657371
C -4.502771 -1.267365 -0.335085
H 2.995815 1.373276 1.183038
H 3.264657 -2.496404 -2.010998
H -0.064355 1.191219 -2.042558
H 0.000368 2.210769 2.153720
H -0.117139 -2.056563 2.025408
H 1.602947 -1.515780 2.219467
H 5.207525 0.591487 0.318467
H 5.344816 -1.318117 -1.258317
H -1.788066 -2.297060 -2.132665
H -1.962416 0.156130 1.448650
H -0.715212 3.521114 -2.597214
H -0.652948 4.548907 1.587019
H 0.473919 -1.938339 4.511126
H 0.952791 -0.239100 4.309190
H -0.734129 -0.705774 4.096193
H -1.009946 5.202831 -0.787441
H -4.252840 -2.477768 -2.105564
H -4.429926 -0.037653 1.437954
H -5.585983 -1.352223 -0.330338


%chk=000244986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244986

0 1
O 0.207636 0.008803 1.890308
O 0.359036 -2.656219 -1.876918
N -0.276538 -0.891023 -0.367781
C 0.432370 0.164850 0.446113
C 1.898825 -0.080730 0.076271
C 1.997889 -1.159602 -0.818757
C -0.001572 1.595027 0.091080
C 0.638011 -1.690978 -1.111943
C -1.704294 -1.042538 -0.350596
C 3.043828 0.598682 0.520940
C 3.238943 -1.601479 -1.313628
C -0.331566 1.925118 -1.245199
C 0.011397 2.609614 1.078314
C 0.539294 -1.324264 2.449186
C 4.302245 0.162288 0.035779
C 4.400189 -0.924339 -0.873660
C -2.358560 -1.919294 -1.262142
C -2.488323 -0.304827 0.580751
C -0.654553 3.254748 -1.589783
C -0.313507 3.940213 0.730985
C 0.217526 -1.262653 3.941238
C -0.645762 4.268275 -0.603233
C -3.763714 -2.042368 -1.234274
C -3.891086 -0.437866 0.590243
C -4.543160 -1.305548 -0.314582
H 2.967917 1.442413 1.214410
H 3.286490 -2.441845 -2.013458
H -0.350890 1.142510 -2.011488
H 0.254952 2.344041 2.110841
H -0.070608 -2.094811 1.938448
H 1.611305 -1.545180 2.275730
H 5.214294 0.674149 0.362348
H 5.385397 -1.236759 -1.236552
H -1.767461 -2.500135 -1.971193
H -2.005655 0.358837 1.299972
H -0.917418 3.498444 -2.625050
H -0.309326 4.718685 1.502279
H 0.435600 -2.237456 4.414149
H 0.823637 -0.488579 4.443157
H -0.849384 -1.029754 4.100381
H -0.898703 5.300162 -0.871424
H -4.248301 -2.722798 -1.943703
H -4.474832 0.142221 1.313890
H -5.633869 -1.405935 -0.302050


