%chk=000186010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186010

0 1
O 3.565377 -1.759154 1.095682
O -0.941486 0.190308 -2.382108
O -3.714776 2.163588 0.744734
N -0.712129 -2.192352 -0.420274
N 1.494742 -2.911771 -1.042726
N -2.858500 0.101035 1.301407
N -2.320007 1.182850 -0.821644
N -1.774246 -2.144086 1.607861
C 2.498950 -1.804475 -0.979278
C 2.413850 -1.169807 0.442532
C 0.151413 -2.601528 -1.563717
C -1.406493 -0.970520 -0.348514
C -2.064017 -0.976357 0.914151
C 2.387042 -0.792500 -2.114877
C 2.526944 0.337567 0.487265
C -1.488842 0.113280 -1.296278
C -0.940354 -2.855114 0.776373
C -3.017489 1.218897 0.427024
C 3.784259 0.954338 0.409822
C 1.374011 1.121567 0.624171
C -3.564173 0.077565 2.605790
C -2.480508 2.382068 -1.690199
C 3.885379 2.346193 0.464245
C 1.478673 2.514914 0.674312
C 2.732558 3.128531 0.594383
H 3.517708 -2.295273 -1.030312
H 1.507885 -1.519965 0.990436
H -0.301808 -3.512916 -2.028336
H 0.115531 -1.766601 -2.322772
H 1.885551 -3.742173 -1.493200
H 2.474763 -1.266620 -3.097755
H 1.435525 -0.234278 -2.097346
H 3.182582 -0.036796 -2.052954
H -0.509646 -3.819114 1.027056
H 4.677881 0.336036 0.310627
H 0.395128 0.649182 0.694653
H 3.630132 -1.446568 2.019524
H -4.102521 1.031171 2.766244
H -2.839225 -0.069904 3.426711
H -4.291461 -0.753597 2.632697
H -2.253231 2.118499 -2.740200
H -1.790960 3.181812 -1.371259
H -3.514496 2.767334 -1.630089
H 4.862436 2.822683 0.404914
H 0.580705 3.122110 0.778562
H 2.812144 4.213246 0.634962


%chk=000186010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186010

0 1
O 2.342740 -1.607480 1.222241
O -1.572680 -0.130001 -2.589991
O -4.608731 1.557487 0.598468
N -0.709336 -2.157592 -0.355426
N 1.624799 -2.508870 -1.259689
N -3.231172 -0.221582 1.268285
N -3.091199 0.688558 -0.964469
N -1.681110 -2.097625 1.721905
C 2.317214 -1.204643 -1.148210
C 2.077412 -0.523872 0.242828
C 0.212447 -2.600289 -1.503050
C -1.656723 -1.115984 -0.373695
C -2.232749 -1.115477 0.910391
C 1.977657 -0.267235 -2.321029
C 2.978688 0.676092 0.487227
C -2.051926 -0.199691 -1.411367
C -0.766418 -2.703420 0.912926
C -3.700511 0.721589 0.325668
C 4.365216 0.494812 0.735663
C 2.453200 1.992047 0.452690
C -3.815270 -0.256147 2.623345
C -3.607802 1.686650 -1.929867
C 5.207154 1.610011 0.937660
C 3.295326 3.109222 0.651473
C 4.675747 2.921158 0.893876
H 3.400181 -1.438226 -1.187432
H 1.015570 -0.206548 0.312048
H -0.049835 -3.652984 -1.706473
H -0.093637 -1.978449 -2.357930
H 1.980658 -3.181818 -0.573367
H 2.197151 -0.775700 -3.275912
H 0.915095 0.035358 -2.334436
H 2.591469 0.647459 -2.265417
H -0.125519 -3.521271 1.230621
H 4.771591 -0.522018 0.782513
H 1.381834 2.142242 0.268530
H 2.298196 -1.227786 2.135401
H -4.583804 0.528594 2.674319
H -3.031769 -0.074001 3.377758
H -4.264216 -1.244893 2.815246
H -3.049738 1.554239 -2.868029
H -3.465860 2.705171 -1.533289
H -4.686117 1.529114 -2.095033
H 6.275478 1.459833 1.130830
H 2.876431 4.121257 0.622587
H 5.329668 3.786015 1.051915


