%chk=000135707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000135707

1 1
O -0.239686 -2.244148 -1.162318
O -3.292595 3.039428 0.191797
O 2.387276 -3.452683 -0.874126
N 2.671631 -1.680978 0.359835
N 3.161276 -2.676576 -0.376448
N -4.220109 0.317196 -0.621072
N -5.272300 -0.009183 -0.797852
C 1.220767 -1.488215 0.630344
C 0.473463 -1.103149 -0.668668
C 3.624199 -0.673160 0.911477
C 3.485499 0.675159 0.189347
C -0.586344 -0.045903 -0.430523
C 4.419364 1.722112 0.812108
C -1.914508 -0.342932 -0.610514
C -0.182612 1.269943 -0.050153
C 4.307522 3.067487 0.102759
C -2.922288 0.675330 -0.415375
C -1.118294 2.261042 0.148314
C -2.497138 1.986699 -0.030772
H 0.790716 -2.447190 1.020875
H 1.075580 -0.747134 1.440959
H 1.176282 -0.760962 -1.471014
H 4.667333 -1.063054 0.801623
H 3.445788 -0.568766 2.005306
H 2.436431 1.039349 0.225678
H 3.729408 0.552625 -0.886592
H 5.470386 1.366546 0.763800
H 4.196225 1.846260 1.890453
H -2.215423 -1.361408 -0.911375
H 0.900145 1.478597 0.083768
H 5.002914 3.798500 0.539733
H 4.563029 2.991550 -0.961745
H 3.304198 3.496864 0.176619
H 0.403793 -2.998705 -1.328809
H -0.828794 3.281130 0.442358
H -4.271438 2.900927 0.074604


%chk=000135707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135707

1 1
O -0.178283 -2.071326 -1.294594
O -4.057276 2.733376 0.200140
O 2.094287 -3.382599 -0.742557
N 2.617165 -1.503997 0.381782
N 3.031436 -2.649929 -0.229072
N -4.482169 -0.028168 -0.690037
N -5.528046 -0.507022 -0.896844
C 1.182160 -1.163477 0.591339
C 0.373878 -0.861656 -0.720797
C 3.703080 -0.650469 0.932292
C 3.827806 0.712550 0.216714
C -0.814076 0.063456 -0.460236
C 4.977321 1.558899 0.814994
C -2.105319 -0.418305 -0.683509
C -0.640532 1.421070 -0.046141
C 5.109951 2.936615 0.132510
C -3.223120 0.457959 -0.466508
C -1.729554 2.280873 0.168771
C -3.052818 1.828034 -0.032354
H 0.686582 -2.013838 1.099963
H 1.178327 -0.296141 1.270546
H 1.057490 -0.351176 -1.436488
H 4.633682 -1.231107 0.817961
H 3.521832 -0.503503 2.014628
H 2.878639 1.283731 0.305632
H 4.009577 0.546402 -0.862772
H 5.929272 1.002162 0.712151
H 4.810227 1.696620 1.902395
H -2.230995 -1.446887 -1.034769
H 0.371044 1.817922 0.099184
H 5.943134 3.514257 0.569087
H 5.307660 2.830015 -0.949921
H 4.188240 3.536840 0.252763
H 0.537569 -2.781056 -1.250474
H -1.590097 3.317952 0.484291
H -4.986377 2.424522 0.044332


