%chk=000002235.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002235

0 1
O 1.669806 -1.853969 -2.128716
O 3.932758 0.144767 -1.524961
O 4.115720 2.053943 0.348701
N -0.445738 -1.209150 0.242171
N -2.690401 -1.726130 0.213467
N -0.618496 1.292434 0.183129
N -2.962322 2.049198 0.129349
N -4.811922 0.542322 0.135317
C 1.014278 -1.413966 0.239438
C 3.030927 -0.066312 0.855958
C 1.758788 -0.758771 1.447343
C 1.712108 -0.875546 -1.044617
C 3.168846 -0.658556 -0.586545
C 2.851624 1.463603 0.868871
C -1.131117 0.015480 0.205704
C -1.433021 -2.209392 0.242050
C -2.512350 -0.330419 0.191708
C -3.446911 0.751472 0.152307
C -1.606802 2.240351 0.144777
H 1.170470 -2.508552 0.242308
H 3.932686 -0.298842 1.450295
H 2.029606 -1.523541 2.194809
H 1.107627 -0.023439 1.950786
H 1.272226 0.093267 -1.352461
H 3.646378 -1.659605 -0.525389
H 2.686749 1.806728 1.909597
H 1.985681 1.771958 0.251070
H 0.843597 -1.730672 -2.658017
H 4.222856 0.979626 -1.049063
H -1.170767 -3.265514 0.264512
H 4.032420 3.036752 0.284475
H -1.275605 3.283507 0.122211
H -5.179936 -0.407279 0.150982
H -5.435463 1.346446 0.104530


%chk=000002235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002235

0 1
O 1.511910 -1.869151 -2.087487
O 3.909420 0.010563 -1.560414
O 4.028045 2.036847 0.157775
N -0.484287 -1.204705 0.269578
N -2.728654 -1.708704 0.196537
N -0.644628 1.291168 0.282439
N -2.984452 2.057530 0.222708
N -4.820385 0.569465 0.159657
C 0.972678 -1.422284 0.256311
C 3.008042 -0.065559 0.853302
C 1.731983 -0.750083 1.454801
C 1.668044 -0.893008 -1.014151
C 3.131043 -0.709468 -0.562357
C 2.821243 1.463205 0.817579
C -1.160741 0.021852 0.262356
C -1.475424 -2.197715 0.220521
C -2.542421 -0.314935 0.222540
C -3.467731 0.769237 0.201844
C -1.629832 2.240130 0.260156
H 1.120597 -2.517486 0.270092
H 3.907939 -0.284151 1.454968
H 2.001851 -1.506730 2.210475
H 1.082464 -0.007298 1.948302
H 1.250684 0.090470 -1.312493
H 3.582506 -1.718933 -0.462424
H 2.748709 1.850747 1.853210
H 1.900389 1.741601 0.269302
H 2.080474 -1.573751 -2.844182
H 4.142088 0.908440 -1.172044
H -1.217853 -3.254429 0.193080
H 3.945568 3.018893 0.087731
H -1.295331 3.282198 0.272814
H -5.190005 -0.378648 0.135319
H -5.439636 1.376891 0.138252


