%chk=000188970.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188970

0 1
O 0.699771 -0.005308 1.683733
O -2.772484 0.015013 -0.241561
O 2.732337 -0.014857 2.658931
O -2.942075 -4.734504 -0.147380
O -3.051141 4.674420 -0.120498
N 4.913116 0.032385 0.461077
C 0.117063 0.002999 0.304326
C 1.354719 0.004021 -0.599070
C -0.701153 -1.244687 0.176485
C -0.692529 1.258547 0.191019
C 2.506131 0.001538 0.226704
C -2.079118 -1.179425 -0.075108
C -2.074335 1.204940 -0.063134
C 2.098451 -0.006396 1.634075
C 1.444073 0.004308 -1.969642
C -0.121249 -2.520156 0.336839
C -0.106360 2.524348 0.368727
C 3.791381 0.004162 -0.338347
C -2.891249 -2.313887 -0.203063
C -2.876195 2.343944 -0.177590
C 2.743831 0.000930 -2.542562
C 3.888202 -0.000404 -1.768837
C -0.882464 -3.674612 0.222491
C -0.862406 3.688527 0.268988
C -2.262662 -3.553815 -0.047036
C -2.240683 3.579331 -0.004207
H 0.562804 0.005346 -2.603875
H 0.947987 -2.589780 0.557446
H 0.963105 2.586430 0.590888
H -3.952064 -2.207951 -0.402495
H -3.942832 2.276092 -0.379972
H 2.829357 -0.001269 -3.632054
H 4.868672 -0.001715 -2.236539
H -0.446764 -4.664267 0.343474
H -0.398266 4.659009 0.408193
H 5.836833 -0.038524 0.078203
H 4.820363 -0.007814 1.470707
H -3.909728 -4.602215 -0.322168
H -2.560839 5.523797 0.026629


%chk=000188970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188970

0 1
O 0.646902 -0.017058 1.690527
O -2.852620 0.008006 0.275075
O 2.755113 -0.027335 2.717067
O -3.025041 -4.816329 -0.119094
O -3.128049 4.757927 0.015037
N 4.893333 -0.015511 0.718087
C 0.103775 0.000671 0.202121
C 1.404661 0.007327 -0.602620
C -0.731189 -1.248910 0.041482
C -0.724937 1.258773 0.071662
C 2.506652 -0.003680 0.272478
C -2.142147 -1.199040 0.137794
C -2.139478 1.216723 0.167217
C 2.054817 -0.017556 1.671248
C 1.583018 0.021146 -1.993501
C -0.135752 -2.528165 -0.120346
C -0.121658 2.534244 -0.057851
C 3.855117 -0.002238 -0.189935
C -2.943278 -2.358682 0.087896
C -2.932846 2.378735 0.147485
C 2.923119 0.023203 -2.473545
C 4.037338 0.012169 -1.608617
C -0.902071 -3.700469 -0.174631
C -0.883578 3.713710 -0.082176
C -2.313467 -3.610271 -0.062801
C -2.297753 3.628208 0.027963
H 0.734694 0.028061 -2.683503
H 0.954351 -2.596394 -0.196416
H 0.968840 2.596980 -0.132121
H -4.031027 -2.254128 0.163731
H -4.020075 2.310199 0.221514
H 3.101145 0.032652 -3.555170
H 5.051431 0.013017 -2.025178
H -0.441544 -4.684460 -0.292915
H -0.390235 4.688512 -0.178370
H 5.862552 -0.016597 0.413355
H 4.663961 -0.028054 1.716806
H -3.997356 -4.664808 -0.016994
H -2.595118 5.587925 -0.058966


