%chk=000002253.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002253

0 1
O -2.165547 -1.126497 -0.587971
O 0.705854 -3.001841 0.428783
O 2.164838 -0.243497 -1.851565
O 2.442868 1.816497 -0.839974
N -1.390092 -2.334672 -0.459014
N 3.394409 0.273101 1.484864
C -2.019560 1.251317 0.108236
C -1.373892 -0.129920 0.062543
C -0.196578 -0.669517 0.532701
C 0.946016 -0.050831 1.293493
C -1.103217 2.276004 -0.625637
C -2.206559 1.675105 1.596886
C -3.410619 1.236162 -0.585234
C 2.333804 -0.202942 0.586415
C -0.169704 -2.113887 0.197359
C 2.322457 0.579152 -0.735099
H 0.770476 1.017883 1.507435
H 1.074435 -0.569527 2.261710
H -0.976901 1.999127 -1.687903
H -1.568606 3.277993 -0.584865
H -0.100045 2.346209 -0.173412
H -1.244249 1.727950 2.134364
H -2.859751 0.962190 2.131334
H -2.677272 2.674513 1.638024
H -4.105109 0.533838 -0.092670
H -3.332338 0.949937 -1.648408
H -3.845911 2.250278 -0.531284
H 2.484589 -1.272907 0.370653
H -1.769967 -3.140266 -0.953271
H 3.431898 1.295423 1.566666
H 4.314963 -0.136732 1.303474
H 2.153210 0.314958 -2.678032


%chk=000002253-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002253

0 1
O -2.233864 -1.081080 -0.622675
O 0.665934 -2.960244 0.285334
O 3.234764 -0.253841 -1.671647
O 2.015869 1.616942 -1.035534
N -1.402231 -2.260044 -0.635653
N 3.366501 0.179555 1.486095
C -2.106812 1.273810 0.137636
C -1.440262 -0.094755 0.038967
C -0.232647 -0.625748 0.442741
C 0.909584 -0.001899 1.206692
C -1.302449 2.299216 -0.718141
C -2.134047 1.725209 1.629288
C -3.569379 1.215297 -0.386258
C 2.297378 -0.269252 0.570791
C -0.202461 -2.060249 0.070014
C 2.444308 0.467217 -0.768167
H 0.767773 1.087688 1.312139
H 0.965576 -0.435917 2.222774
H -1.335000 2.024339 -1.787882
H -1.755119 3.301973 -0.605534
H -0.241061 2.354159 -0.424519
H -1.120432 1.832330 2.050757
H -2.692059 1.002885 2.252072
H -2.637317 2.706646 1.702897
H -4.187780 0.515062 0.202477
H -3.610730 0.902819 -1.443617
H -4.015224 2.223044 -0.306032
H 2.410641 -1.351685 0.401875
H -1.895663 -3.116769 -0.885667
H 3.399834 1.192461 1.641106
H 4.285798 -0.231890 1.305048
H 3.374478 0.287318 -2.496778


