%chk=000004405.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004405

0 1
O 3.615906 1.030103 0.283021
O 4.648783 -1.672727 1.804202
O 5.164563 -2.122227 -0.838740
O 4.715978 2.306516 -2.107202
N 1.648450 0.274471 1.406421
N -0.356770 1.051729 2.213945
N 0.837278 -0.737471 -0.730212
N -2.919468 0.650161 0.674241
N -1.597770 -0.473387 -0.997057
C 3.549539 -1.324961 0.903123
C 3.097143 0.099095 1.305374
C 4.067088 -1.190232 -0.564445
C 4.475569 0.295116 -0.685761
C 4.241519 0.922166 -2.060270
C 0.679686 -0.074017 0.452981
C 0.965242 0.956735 2.430342
C -0.544500 0.409611 0.976114
C -1.720742 0.188831 0.197057
C -0.354155 -0.891014 -1.383306
C -4.225804 0.587253 0.126686
C -5.271012 1.178269 0.888986
C -4.520788 -0.024996 -1.118945
C -6.595491 1.158211 0.411651
C -5.852823 -0.036122 -1.582423
C -6.896971 0.549867 -0.829909
H 2.728333 -2.060272 0.976064
H 3.532145 0.351317 2.289239
H 3.252400 -1.439055 -1.260419
H 5.534602 0.440766 -0.374711
H 3.161568 0.850604 -2.305231
H 4.826240 0.384853 -2.826513
H 5.092304 -2.473320 1.414530
H 6.026400 -1.676489 -0.630858
H 1.487068 1.352113 3.299484
H 4.217317 2.820617 -1.421600
H -0.311888 -1.415716 -2.342301
H -2.835387 1.123957 1.580811
H -5.044108 1.652268 1.852993
H -3.709904 -0.475181 -1.695220
H -7.390995 1.617403 1.008683
H -6.074085 -0.509907 -2.545484
H -7.926658 0.533859 -1.202141


%chk=000004405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004405

0 1
O 3.744044 1.064250 0.439126
O 4.779270 -1.627794 1.798811
O 5.233329 -1.990103 -0.785445
O 4.472769 2.406454 -1.985274
N 1.688380 0.292278 1.434941
N -0.333980 1.074451 2.200657
N 0.905740 -0.748502 -0.706047
N -2.876207 0.653060 0.639127
N -1.525547 -0.493624 -1.009458
C 3.620245 -1.298432 0.978804
C 3.148144 0.116459 1.392693
C 4.054196 -1.147722 -0.515046
C 4.472191 0.330746 -0.642911
C 4.089185 0.994374 -1.967798
C 0.734748 -0.070227 0.470452
C 0.985030 0.983124 2.439403
C -0.499835 0.417982 0.968392
C -1.667513 0.185416 0.177647
C -0.275573 -0.912176 -1.373786
C -4.182965 0.583762 0.084463
C -5.230060 1.183838 0.837714
C -4.477810 -0.041303 -1.156990
C -6.553975 1.160806 0.357356
C -5.810013 -0.054785 -1.622766
C -6.854176 0.540433 -0.878358
H 2.825215 -2.055269 1.113246
H 3.530190 0.342307 2.403286
H 3.201955 -1.388799 -1.173196
H 5.557154 0.435446 -0.454265
H 2.998852 0.868086 -2.136853
H 4.647188 0.526306 -2.796843
H 5.460024 -2.012095 1.174466
H 4.956612 -2.828396 -1.230886
H 1.491974 1.390150 3.311960
H 4.061254 2.835146 -1.190878
H -0.218600 -1.446306 -2.327023
H -2.798972 1.138190 1.540245
H -5.005013 1.667515 1.797292
H -3.667634 -0.498366 -1.727163
H -7.350040 1.627360 0.947854
H -6.030748 -0.537733 -2.581413
H -7.883227 0.522491 -1.252337


