%chk=000227613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227613

0 1
O -4.153929 -0.284463 0.084569
O -3.314872 1.474143 -1.491519
N 2.809684 0.696460 1.272814
N -1.479950 1.110680 -0.139597
C 0.535975 0.168724 0.835519
C 1.975347 -0.316633 0.531498
C 2.418633 -0.346713 -0.958740
C 0.023592 1.328477 -0.091312
C 0.639736 0.657902 2.316840
C 2.075134 1.016264 -1.593113
C 0.574056 1.298113 -1.530894
C 2.132538 0.922957 2.589682
C 3.947436 -0.618995 -1.012775
C -0.568947 -0.860464 0.737589
C 1.681757 -1.516695 -1.664783
C 4.238025 0.283480 1.349662
C 4.775388 0.286705 -0.093306
C -1.753122 -0.240766 0.241295
C -0.567468 -2.188774 1.127160
C 2.023896 -1.673530 -3.143290
C -2.335897 1.923052 -0.933239
C -2.961474 -0.953579 0.277169
C -1.766837 -2.921306 1.058692
C -2.951130 -2.311191 0.657771
C -1.952434 3.376525 -0.992820
C -4.930536 -0.717070 -1.064998
H 2.096661 -1.346981 0.956073
H 0.236740 2.316020 0.379088
H 0.242025 -0.107788 3.005606
H 0.025217 1.556924 2.484882
H 2.420073 1.049954 -2.642282
H 2.631668 1.813036 -1.055398
H 0.357678 2.265041 -2.026755
H 0.034521 0.529215 -2.125380
H 2.319066 1.976175 2.882388
H 2.510813 0.280978 3.408398
H 4.301158 -0.504131 -2.054632
H 4.134645 -1.677270 -0.747194
H 0.585589 -1.372338 -1.558543
H 1.901439 -2.464024 -1.135312
H 4.391943 -0.709291 1.822567
H 4.787878 1.026392 1.965194
H 5.832897 -0.034199 -0.098736
H 4.761811 1.324992 -0.482528
H 0.341613 -2.662241 1.489115
H 1.814910 -0.756957 -3.707269
H 3.079528 -1.921995 -3.296805
H 1.430444 -2.476646 -3.596360
H -1.769272 -3.971321 1.345066
H -3.888962 -2.863219 0.655884
H -2.754598 3.952509 -1.481328
H -1.032167 3.541033 -1.570325
H -1.805007 3.806620 0.007236
H -4.365509 -0.503136 -1.980037
H -5.806779 -0.061483 -0.997349
H -5.199928 -1.769372 -0.974836


%chk=000227613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227613

0 1
O -4.252149 -0.193519 0.263160
O -3.362509 1.730341 -1.429298
N 2.722246 0.747535 1.263935
N -1.477955 1.116685 -0.157889
C 0.515455 0.100708 0.741047
C 2.000281 -0.310211 0.500933
C 2.506057 -0.394592 -0.974362
C 0.033933 1.255918 -0.190141
C 0.540724 0.576878 2.248055
C 2.061650 0.895767 -1.716223
C 0.535267 1.103193 -1.651318
C 2.030643 0.880341 2.568138
C 4.064977 -0.512957 -0.951540
C -0.602047 -0.923709 0.563466
C 1.921286 -1.686368 -1.635310
C 4.179519 0.556318 1.342413
C 4.773675 0.545638 -0.077521
C -1.791418 -0.242584 0.166714
C -0.617183 -2.286954 0.894833
C 2.284091 -1.909373 -3.120287
C -2.290788 2.044789 -0.838766
C -3.043231 -0.907955 0.270091
C -1.846589 -2.990363 0.848541
C -3.041740 -2.297983 0.564192
C -1.808357 3.496817 -0.792503
C -5.207530 -0.514630 -0.813758
H 2.165570 -1.317438 0.977809
H 0.337671 2.234902 0.216008
H 0.151896 -0.222353 2.901236
H -0.115103 1.454388 2.381707
H 2.389464 0.857274 -2.772499
H 2.562931 1.764983 -1.251187
H 0.253657 2.000580 -2.233759
H 0.008599 0.249975 -2.119617
H 2.191154 1.890722 2.987619
H 2.419358 0.140801 3.312608
H 4.451140 -0.457651 -1.987290
H 4.329485 -1.521519 -0.567693
H 0.821159 -1.697081 -1.535156
H 2.280653 -2.556371 -1.046379
H 4.435334 -0.405332 1.864834
H 4.614100 1.378924 1.941391
H 5.857494 0.325625 -0.027864
H 4.664403 1.553090 -0.520492
H 0.303652 -2.797157 1.197628
H 1.890926 -1.102584 -3.765830
H 3.375832 -1.969080 -3.280263
H 1.845223 -2.858293 -3.479670
H -1.880372 -4.059071 1.085832
H -4.005446 -2.815580 0.629335
H -2.610356 4.126758 -1.205312
H -0.898022 3.654951 -1.398271
H -1.587587 3.813662 0.242299
H -4.791447 -0.181299 -1.779442
H -6.115527 0.061305 -0.579868
H -5.443453 -1.597061 -0.834014


