%chk=000229835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229835

0 1
O 3.899923 0.786453 1.901245
O 3.980261 2.166178 0.113522
O -1.824710 -1.268653 -3.352345
O -5.308151 1.403118 2.802192
N 0.185249 -1.100783 -0.768738
N -6.185008 1.111512 0.685770
C 2.856012 -0.028573 -0.087263
C 1.941845 -0.738491 0.937544
C 1.936901 0.606030 -1.158798
C 1.043636 -1.781822 0.258395
C 1.038180 -0.447300 -1.818395
C 3.925724 -0.943197 -0.672053
C 3.625488 1.117793 0.596409
C -0.757129 -2.081594 -1.391253
C 4.462277 -1.989381 0.095297
C 4.419754 -0.729614 -1.968158
C -1.849390 -1.306258 -2.138210
C 5.449896 -2.823334 -0.434200
C 5.408000 -1.564355 -2.496633
C 5.922429 -2.616681 -1.733787
C 4.638892 1.752300 2.716153
C -2.942506 -0.680383 -1.354979
C 3.707679 2.854124 3.176351
C -2.786319 -0.295917 -0.014733
C -4.168817 -0.439622 -2.003208
C -3.837776 0.296616 0.682089
C -5.230823 0.144225 -1.322515
C -5.065265 0.514550 0.032948
C -6.242803 1.529675 2.041126
C -7.564544 2.133154 2.424925
H 1.313045 0.019349 1.449799
H 2.545623 -1.213766 1.736665
H 2.535244 1.135113 -1.927514
H 1.305840 1.387302 -0.684763
H 0.375450 -2.242513 1.017933
H 1.665782 -2.597933 -0.170756
H 0.363061 0.046168 -2.554420
H 1.654221 -1.176707 -2.389067
H -0.268566 -2.784310 -2.103871
H -1.223001 -2.707434 -0.599523
H 4.115193 -2.148214 1.117598
H 4.040300 0.098633 -2.569503
H 5.855130 -3.633440 0.169849
H 5.780106 -1.389689 -3.505183
H 6.690595 -3.267321 -2.146766
H 4.990138 1.103440 3.538603
H 5.489219 2.133685 2.123058
H 4.193792 3.512644 3.905454
H 2.800282 2.449199 3.641950
H 3.386244 3.480137 2.329749
H -1.825026 -0.443714 0.490015
H -4.276204 -0.716892 -3.056837
H -3.703004 0.593127 1.728258
H -6.171821 0.315711 -1.837672
H -7.015407 1.245528 0.103569
H -8.400755 1.430512 2.311180
H -7.798721 3.038762 1.849164
H -7.542561 2.430749 3.488131


%chk=000229835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229835

0 1
O 3.957021 0.730699 1.945604
O 3.441411 2.292337 0.296947
O -2.125545 -2.342081 -3.137908
O -5.210078 1.769313 2.683699
N 0.115330 -1.480550 -0.538863
N -5.954383 1.390968 0.486381
C 2.679606 -0.061523 0.028367
C 1.968771 -0.993863 1.056980
C 1.563700 0.516136 -0.890592
C 1.142764 -2.085107 0.351500
C 0.734212 -0.592716 -1.561115
C 3.818943 -0.784897 -0.750410
C 3.370723 1.123521 0.741484
C -0.744050 -2.519530 -1.155319
C 4.669912 -1.710251 -0.089814
C 4.087628 -0.493774 -2.113201
C -1.954509 -1.968069 -1.936300
C 5.734913 -2.339145 -0.770285
C 5.153849 -1.119103 -2.797495
C 5.981712 -2.049832 -2.131665
C 4.710456 1.783653 2.697721
C -2.941254 -1.070762 -1.263267
C 3.767184 2.574624 3.607727
C -2.804358 -0.634153 0.082799
C -4.090614 -0.660001 -1.996892
C -3.778178 0.178396 0.693468
C -5.066289 0.150084 -1.403143
C -4.923610 0.575968 -0.049543
C -6.069130 1.938670 1.773046
C -7.339118 2.765988 1.972666
H 1.286337 -0.376326 1.670981
H 2.688567 -1.457301 1.749780
H 1.981370 1.199069 -1.648403
H 0.888712 1.127150 -0.263225
H 0.622645 -2.698969 1.111621
H 1.824421 -2.767706 -0.215731
H -0.074468 -0.130296 -2.156345
H 1.367652 -1.181306 -2.269564
H -0.185868 -3.168861 -1.871732
H -1.127197 -3.169203 -0.341606
H 4.516211 -1.933171 0.970386
H 3.470512 0.229405 -2.654202
H 6.374619 -3.050530 -0.235554
H 5.336305 -0.876559 -3.850503
H 6.807790 -2.536585 -2.661962
H 5.456041 1.208504 3.269929
H 5.212440 2.442419 1.967618
H 4.349735 3.288317 4.219645
H 3.220832 1.901057 4.290485
H 3.038733 3.148310 3.010881
H -1.899879 -0.907271 0.634280
H -4.191700 -1.000059 -3.032769
H -3.669616 0.513241 1.726007
H -5.948433 0.456895 -1.980754
H -6.719429 1.605093 -0.159000
H -8.246916 2.155541 1.810447
H -7.373541 3.625011 1.276946
H -7.349790 3.147030 3.003566


