%chk=000216196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216196

0 1
O -3.446664 1.345992 -1.546892
O -3.657753 2.466500 0.382200
O 3.853929 0.428721 -2.318585
O 4.603059 -0.577756 0.101500
O -1.354697 -1.148891 1.863372
N -1.886972 -0.478577 -0.250763
N -1.597507 -3.889803 1.333117
C -1.728327 0.949444 0.074039
C -0.570940 1.612367 -0.695919
C 0.775638 0.992829 -0.435556
C 1.707701 0.968985 -1.490692
C 1.122832 0.483606 0.820578
C -3.030048 1.680478 -0.278251
C -1.639233 -1.457775 0.718026
C 2.976263 0.436174 -1.267784
C 2.396225 -0.055168 1.052044
C 3.318807 -0.076713 0.011376
C -1.779163 -2.904820 0.245800
H -1.566562 1.056987 1.192937
H -0.795825 1.600025 -1.786137
H -0.518510 2.691401 -0.419660
H -2.051160 -0.701002 -1.229967
H 1.465401 1.359632 -2.477681
H 0.397813 0.481460 1.639983
H 2.649650 -0.448650 2.033917
H -1.030756 -3.119070 -0.554775
H -2.780559 -3.069053 -0.218499
H -4.298125 1.794462 -1.803241
H 4.731151 0.033573 -2.044928
H -2.286298 -3.736409 2.068278
H -0.683274 -3.771331 1.767670
H 4.799302 -0.903520 1.013194


%chk=000216196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216196

0 1
O -3.789404 0.997005 -1.241432
O -3.310424 2.800632 0.144393
O 4.003464 0.524379 -2.363906
O 4.795314 -0.428327 0.036295
O -1.425971 -1.191634 1.954371
N -1.824915 -0.519782 -0.242328
N -2.005861 -3.935407 1.312855
C -1.721041 0.910922 0.040776
C -0.542439 1.616881 -0.708151
C 0.832998 1.008581 -0.456648
C 1.777556 1.004893 -1.515193
C 1.219287 0.506464 0.811166
C -3.002457 1.675067 -0.296495
C -1.675714 -1.481420 0.743807
C 3.082108 0.521801 -1.311246
C 2.529680 0.016881 1.022250
C 3.456998 0.028988 -0.033845
C -1.795261 -2.948306 0.251938
H -1.569685 1.000671 1.131740
H -0.754858 1.610699 -1.795020
H -0.553394 2.678711 -0.390721
H -2.101059 -0.801214 -1.185020
H 1.515536 1.379945 -2.510371
H 0.504912 0.464264 1.639005
H 2.813943 -0.374644 2.007015
H -0.858160 -3.193344 -0.286339
H -2.612654 -3.027854 -0.490767
H -4.589981 1.546951 -1.459150
H 4.864105 0.153078 -2.034274
H -2.924360 -3.845225 1.762288
H -1.267266 -3.894996 2.025156
H 5.024403 -0.760558 0.936554


