%chk=000004199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004199

0 1
O 7.012155 -1.624325 0.550676
N 4.684149 -0.002704 -0.096018
N 1.194902 1.431516 -0.454446
N -0.418564 -0.264066 -0.308965
N -1.704217 -0.684179 -0.156370
C 4.541728 -1.343127 0.535106
C 5.975272 0.616243 0.305683
C 3.529751 0.886405 0.165204
C 5.732882 -2.235595 0.151202
C 7.142698 -0.303995 -0.085772
C 2.279437 0.453634 -0.630674
C -0.133108 1.086394 -0.317514
C -1.153834 2.094658 -0.190374
C -2.460016 1.628663 -0.052175
C -2.728938 0.227760 -0.029562
C -0.807149 3.566224 -0.217619
C -4.096359 -0.340768 0.118034
C -5.203855 0.456715 0.517738
C -4.316729 -1.722463 -0.142220
C -6.491701 -0.106529 0.643620
C -5.602509 -2.283430 -0.014567
C -6.699716 -1.478991 0.376178
H 3.609008 -1.821015 0.185606
H 4.488864 -1.258243 1.650110
H 6.017472 0.805837 1.408316
H 6.084655 1.587845 -0.213370
H 3.270443 0.944730 1.252819
H 3.822483 1.908464 -0.154055
H 5.690086 -3.202034 0.679690
H 5.728010 -2.408694 -0.946524
H 7.167243 -0.421126 -1.190873
H 8.105474 0.101328 0.267184
H 2.556218 0.344554 -1.698854
H 1.883618 -0.516988 -0.291597
H 1.428340 2.421513 -0.528419
H -3.278010 2.352055 0.022762
H -0.314296 3.852977 -1.168382
H -1.711361 4.188751 -0.113766
H -0.119246 3.836223 0.608469
H -5.069558 1.518916 0.751626
H -3.458515 -2.331962 -0.439315
H -7.331385 0.524667 0.956168
H -5.751902 -3.349033 -0.222402
H -7.700222 -1.915103 0.473441


%chk=000004199-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000004199

0 1
O 5.766686 -2.365552 0.736511
N 4.242445 0.012622 0.067947
N 1.372139 2.216161 -1.052962
N 0.151852 0.284372 -0.510659
N -1.010117 -0.354034 -0.191821
C 3.591268 -1.324691 0.146479
C 5.383550 0.076338 1.014834
C 3.272618 1.121984 0.201421
C 4.615361 -2.418824 -0.185085
C 6.392609 -1.034996 0.674042
C 2.603337 1.416725 -1.168542
C 0.153172 1.652818 -0.720805
C -1.043772 2.449424 -0.628312
C -2.213258 1.761684 -0.295938
C -2.186399 0.350899 -0.070698
C -1.013730 3.936915 -0.898527
C -3.390972 -0.444245 0.294837
C -4.621941 0.173448 0.650077
C -3.322921 -1.866028 0.298880
C -5.749689 -0.604113 0.990806
C -4.448908 -2.640677 0.640890
C -5.670998 -2.015488 0.987050
H 2.741259 -1.368538 -0.557353
H 3.179369 -1.505056 1.170524
H 5.052117 -0.048171 2.076784
H 5.878902 1.061938 0.922233
H 2.472366 0.892055 0.943055
H 3.806943 2.023900 0.557232
H 4.182855 -3.424409 -0.054157
H 4.969495 -2.294930 -1.231294
H 6.799135 -0.859586 -0.345919
H 7.218432 -1.063159 1.404636
H 3.312942 1.947933 -1.826984
H 2.343393 0.459142 -1.647881
H 1.428163 3.227421 -1.157993
H -3.154345 2.316546 -0.229753
H -0.656661 4.154704 -1.924856
H -2.018297 4.379326 -0.794237
H -0.342846 4.467672 -0.193296
H -4.710062 1.265254 0.678994
H -2.371219 -2.334721 0.033094
H -6.687868 -0.107860 1.264054
H -4.375887 -3.734154 0.636558
H -6.546823 -2.618345 1.251931


