%chk=000222961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222961

0 1
O 6.890415 -0.421180 0.297388
N -5.125848 0.820182 -0.212025
C 0.480619 -0.541926 -0.173114
C 1.330468 0.720395 0.162347
C -0.997484 -0.216658 -0.159278
C 0.793559 -1.692748 0.809907
C -5.904139 0.831576 1.070278
C -6.032031 0.205764 -1.237512
C 1.013673 1.873785 -0.816111
C -6.956867 -0.293536 0.989993
C -7.039811 -0.695079 -0.493490
C 2.809552 0.396751 0.143587
C -3.768153 0.373680 -0.166460
C -1.635842 0.242913 1.002781
C -1.762515 -0.379738 -1.323802
C -2.997281 0.534404 1.006940
C -3.125696 -0.092818 -1.334660
C 0.091871 -2.990107 0.416971
C 1.722558 3.168484 -0.427945
C 3.571484 0.559728 1.317358
C 3.441523 -0.053698 -1.021923
C 4.932138 0.276966 1.331325
C 4.809800 -0.346902 -1.037318
C 5.540033 -0.177530 0.143180
C 7.626361 -0.888670 -0.856987
H 0.766818 -0.884412 -1.199412
H 1.045982 1.060426 1.190140
H 1.889274 -1.860763 0.843703
H 0.501775 -1.404200 1.837323
H -6.391909 1.828510 1.135841
H -5.254937 0.728520 1.962318
H -5.475592 -0.351311 -2.017042
H -6.551148 1.047127 -1.746173
H 1.292784 1.586153 -1.847047
H -0.082555 2.045144 -0.838131
H -6.662229 -1.154624 1.613756
H -7.932540 0.049140 1.370942
H -8.058776 -0.562043 -0.891588
H -6.788644 -1.761219 -0.626081
H -1.060727 0.374633 1.919003
H -1.288984 -0.736983 -2.237800
H -3.465211 0.895419 1.921598
H -3.693197 -0.223396 -2.254692
H 0.307283 -3.788751 1.134764
H 0.410062 -3.339223 -0.571218
H -0.997577 -2.860529 0.382564
H 1.416865 3.515162 0.565251
H 1.497748 3.970110 -1.139770
H 2.812183 3.039493 -0.408110
H 3.090621 0.913965 2.229220
H 2.863976 -0.179501 -1.937735
H 5.533431 0.397752 2.228731
H 5.277193 -0.694885 -1.951103
H 8.640959 -0.990764 -0.450656
H 7.238603 -1.855717 -1.189359
H 7.597681 -0.141372 -1.654966


%chk=000222961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222961

0 1
O 7.087230 -0.119370 0.278153
N -5.203507 0.087921 -0.005887
C 0.558616 -0.696666 -0.168242
C 1.344844 0.629547 0.167991
C -0.955806 -0.481686 -0.130539
C 0.988968 -1.868205 0.763914
C -5.934427 0.535385 1.197131
C -6.097815 -0.154761 -1.155971
C 0.935026 1.788950 -0.787788
C -7.349842 0.862443 0.664223
C -7.514785 -0.106713 -0.535125
C 2.860190 0.417961 0.166153
C -3.823139 -0.096677 -0.048205
C -1.625194 -0.137886 1.073918
C -1.758363 -0.628912 -1.288789
C -3.018620 0.051282 1.126249
C -3.155366 -0.442764 -1.263876
C 0.356875 -3.222545 0.379058
C 1.545219 3.153049 -0.401931
C 3.630253 0.604958 1.344700
C 3.551614 0.039630 -1.011525
C 5.026174 0.421693 1.354669
C 4.951953 -0.152759 -1.026566
C 5.693512 0.039836 0.165532
C 7.817626 -0.516442 -0.925797
H 0.832255 -0.983091 -1.207456
H 1.048588 0.929596 1.196413
H 2.091165 -1.957294 0.742127
H 0.716225 -1.616883 1.809833
H -5.449952 1.421359 1.653171
H -5.967280 -0.262562 1.971622
H -5.886441 -1.135465 -1.626505
H -5.970900 0.625166 -1.938929
H 1.236973 1.527499 -1.823271
H -0.167979 1.865921 -0.794134
H -8.128445 0.731542 1.434655
H -7.386241 1.909946 0.312632
H -8.278318 0.227770 -1.257584
H -7.800536 -1.111438 -0.173054
H -1.048419 -0.021968 2.000737
H -1.277916 -0.893761 -2.239860
H -3.488789 0.301787 2.082797
H -3.727132 -0.557025 -2.190452
H 0.701406 -4.026934 1.055232
H 0.635200 -3.508285 -0.653826
H -0.745709 -3.179366 0.429495
H 1.237338 3.447699 0.619835
H 1.210322 3.946512 -1.095554
H 2.649414 3.122835 -0.424128
H 3.124655 0.899554 2.272601
H 2.992623 -0.109538 -1.943673
H 5.616855 0.567736 2.264394
H 5.446036 -0.445949 -1.958275
H 8.870714 -0.584127 -0.614869
H 7.475887 -1.501688 -1.300052
H 7.714762 0.239079 -1.729675


