%chk=000118457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118457

0 1
O 3.327192 -0.738032 -0.389168
O 1.200976 -2.062173 -0.691613
O 3.255315 1.460388 0.150176
N -0.914070 1.277050 0.487591
N -2.981997 0.096649 0.282651
C -1.610160 0.078392 0.171218
C -0.886294 -1.068308 -0.221341
C -1.653914 2.533408 0.828930
C 0.464823 1.313503 0.364154
C 1.212156 0.224410 -0.007525
C 0.598054 -1.069898 -0.342495
C -1.618791 -2.238899 -0.505743
C -3.659087 -1.045727 0.003217
C -1.853710 3.403159 -0.405182
C -3.000311 -2.236682 -0.396685
C 2.670509 0.411104 -0.061523
C -5.143553 -0.998109 0.134832
C 4.789804 -0.684590 -0.463583
C 5.379359 -0.687449 0.931556
H -2.642681 2.259706 1.275830
H -1.084634 3.076273 1.616461
H 0.960942 2.275975 0.596048
H -1.068479 -3.137478 -0.811506
H -0.906100 3.701137 -0.870224
H -2.443960 2.881713 -1.173163
H -2.398187 4.322002 -0.151506
H -3.579830 -3.130648 -0.612284
H -5.637287 -1.246541 -0.816632
H -5.499558 -1.715304 0.889901
H -5.506249 -0.001683 0.438334
H 4.989778 -1.616429 -1.025220
H 5.082628 0.203882 -1.049325
H 6.466478 -0.819859 0.908625
H 5.168409 0.259325 1.451270
H 4.953829 -1.494768 1.542325


%chk=000118457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118457

0 1
O 3.456107 -0.691622 -0.422882
O 1.158527 -2.253671 -0.607163
O 3.215962 1.505128 0.315004
N -0.903584 1.252052 0.447736
N -2.989859 0.149446 0.255496
C -1.629039 0.073799 0.162156
C -0.913976 -1.105474 -0.194657
C -1.622588 2.515797 0.782066
C 0.464715 1.236240 0.356883
C 1.236491 0.126582 0.009378
C 0.581277 -1.163158 -0.293225
C -1.693119 -2.260192 -0.461899
C -3.717949 -0.971603 -0.003902
C -2.024038 3.307374 -0.476788
C -3.091247 -2.201094 -0.369295
C 2.704119 0.392466 -0.005894
C -5.222581 -0.860740 0.111767
C 4.939544 -0.499642 -0.443452
C 5.539552 -0.786551 0.936205
H -2.520932 2.239033 1.355308
H -0.953698 3.110929 1.428169
H 0.981786 2.174830 0.581886
H -1.158754 -3.175703 -0.736511
H -1.141338 3.572792 -1.085256
H -2.719694 2.718278 -1.097500
H -2.532985 4.242883 -0.182330
H -3.708972 -3.081310 -0.572052
H -5.714894 -1.117048 -0.844747
H -5.614138 -1.558505 0.875335
H -5.505151 0.165184 0.392593
H 5.275418 -1.227277 -1.199068
H 5.161648 0.530772 -0.772693
H 6.643380 -0.743401 0.879193
H 5.202084 -0.038777 1.673204
H 5.249327 -1.792319 1.285334


