%chk=000201504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201504

0 1
O -2.035765 -1.924983 0.462028
O 1.183608 0.268369 0.654250
N -0.688123 1.583217 0.619904
N -5.825651 1.999168 -0.730577
C 1.990895 -3.360680 0.311646
C 3.140702 -2.373064 0.068175
C 0.678397 -2.811061 -0.260231
C 4.452303 -2.868888 0.688869
C -0.522443 -3.683279 0.123636
C 5.597262 -1.875461 0.444757
C -1.835593 -3.098233 -0.390783
C 6.908604 -2.357783 1.061989
C -2.993766 -1.010882 0.081756
C -2.782994 0.292470 0.591069
C -1.527311 0.611355 1.362967
C -4.127265 -1.320754 -0.680870
C -3.752917 1.267261 0.359299
C -4.899779 0.964393 -0.405051
C -5.077721 -0.331125 -0.928259
C 0.621977 1.275582 0.253311
C 1.284773 2.313368 -0.605058
C 2.461055 2.918771 -0.144830
C 0.760263 2.643413 -1.861000
C 3.105296 3.870716 -0.940374
C 1.412038 3.592413 -2.653733
C 2.580890 4.207892 -2.192582
H 2.226153 -4.341736 -0.139908
H 1.881569 -3.540772 1.398757
H 3.272131 -2.205608 -1.016951
H 2.866952 -1.379429 0.489321
H 0.752853 -2.717504 -1.358740
H 0.514090 -1.773975 0.119973
H 4.318174 -3.024194 1.776565
H 4.718495 -3.858832 0.273022
H -0.574989 -3.773005 1.229678
H -0.399455 -4.711567 -0.265962
H 5.731000 -1.716366 -0.642831
H 5.327377 -0.885634 0.862935
H -2.690304 -3.776645 -0.233884
H -1.782966 -2.775212 -1.442949
H 7.220601 -3.320646 0.642527
H 6.818279 -2.486956 2.146417
H 7.717753 -1.641980 0.882037
H -1.777359 1.036782 2.361753
H -0.929348 -0.323222 1.553973
H -4.277145 -2.322904 -1.073428
H -3.619193 2.269397 0.761211
H -5.953057 -0.564546 -1.530560
H -1.169429 2.384476 0.223652
H -6.757226 1.677454 -0.960036
H -5.866985 2.757425 -0.062082
H 2.872737 2.638586 0.826168
H -0.143741 2.155680 -2.225670
H 4.019058 4.345260 -0.585722
H 1.010169 3.850083 -3.632405
H 3.085867 4.948200 -2.811966


%chk=000201504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201504

0 1
O -1.946190 -1.335799 0.226995
O 0.572189 0.849104 2.031784
N -1.087260 1.688349 0.631368
N -6.721121 1.562098 -0.697446
C 2.150259 -2.900850 0.264192
C 3.360768 -2.044969 -0.171694
C 0.807743 -2.358824 -0.273511
C 4.708704 -2.563227 0.377687
C -0.404443 -3.201550 0.178209
C 5.916693 -1.701706 -0.056586
C -1.746539 -2.680200 -0.343214
C 7.260594 -2.220612 0.499667
C -3.149598 -0.668144 -0.063262
C -3.314458 0.604808 0.557267
C -2.214680 1.175979 1.437356
C -4.171895 -1.178580 -0.896798
C -4.505285 1.327058 0.336709
C -5.546419 0.825012 -0.496215
C -5.355822 -0.440132 -1.112749
C 0.233921 1.439353 0.954639
C 1.265812 1.922762 -0.038017
C 2.584944 2.131169 0.438729
C 0.986105 2.133276 -1.413821
C 3.601283 2.569024 -0.435680
C 2.005179 2.566596 -2.290866
C 3.313127 2.792741 -1.803289
H 2.296152 -3.948524 -0.076533
H 2.108910 -2.932792 1.372702
H 3.406456 -2.009923 -1.280859
H 3.203634 -1.000106 0.165821
H 0.840639 -2.324402 -1.383510
H 0.669241 -1.320119 0.077259
H 4.663774 -2.595430 1.486523
H 4.867919 -3.610149 0.042380
H -0.442883 -3.232726 1.284467
H -0.289434 -4.248650 -0.171993
H 5.960733 -1.669655 -1.164678
H 5.753445 -0.656283 0.276928
H -2.581124 -3.341371 -0.027345
H -1.744315 -2.613317 -1.452789
H 7.457943 -3.253982 0.156184
H 7.252260 -2.232557 1.606135
H 8.108008 -1.588688 0.174525
H -2.626058 1.987890 2.069407
H -1.784197 0.409320 2.104392
H -4.063361 -2.152529 -1.382852
H -4.630227 2.300887 0.829237
H -6.137983 -0.853500 -1.761246
H -1.312914 2.224816 -0.207203
H -7.472312 1.194618 -1.272602
H -6.862668 2.453400 -0.233112
H 2.785417 1.933373 1.496946
H -0.010329 1.922383 -1.821413
H 4.615461 2.733847 -0.055199
H 1.782506 2.716717 -3.353164
H 4.102489 3.129522 -2.484661


