%chk=000117093.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117093

0 1
O 2.485872 0.707290 -1.048100
O 4.608598 -0.093267 1.065584
O -3.960003 1.046504 -1.550786
N -2.914534 -0.399745 -0.084946
N 1.748219 -1.056791 1.094317
C -1.544506 -0.055054 -0.318209
C 1.151503 0.512233 -0.702332
C 0.784451 -0.466454 0.269019
C -0.581952 -0.752993 0.441108
C -1.166516 0.919489 -1.253780
C 0.189278 1.199548 -1.437788
C 3.277513 1.466200 -0.084812
C 4.641770 0.781223 -0.093234
C -5.371717 -0.400972 -0.241186
C -4.044386 0.177849 -0.707790
C -5.740731 0.105985 1.146361
C 5.756562 -0.954222 1.167878
H -0.884076 -1.499271 1.167401
H -1.919968 1.455339 -1.838019
H 0.506418 1.942678 -2.170163
H 3.319736 2.496767 -0.475184
H 2.814873 1.457333 0.918934
H -3.072199 -1.112150 0.630885
H 5.473482 1.495107 0.026157
H 4.780257 0.178417 -1.010928
H -6.149916 -0.092866 -0.976566
H -5.361546 -1.507830 -0.271917
H 1.524231 -1.941874 1.516422
H 2.727857 -0.964711 0.817461
H -5.033661 -0.225576 1.915248
H -6.737082 -0.247946 1.441050
H -5.766574 1.204861 1.177500
H 5.807346 -1.633648 0.312015
H 5.561570 -1.506704 2.095514
H 6.673634 -0.364749 1.259386


%chk=000117093-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117093

0 1
O 2.582041 0.750698 -0.932120
O 4.692364 -0.390280 0.796782
O -4.091887 1.093826 -1.152634
N -2.859084 -0.425568 0.151292
N 1.889039 -1.284317 0.899797
C -1.506678 -0.072425 -0.148844
C 1.211981 0.503558 -0.628911
C 0.882529 -0.553779 0.281919
C -0.494792 -0.817305 0.510040
C -1.165725 0.960042 -1.060770
C 0.203682 1.228583 -1.281962
C 3.346403 1.495626 0.097362
C 4.754596 0.919092 0.129537
C -5.317730 -0.567926 0.174568
C -4.043174 0.123898 -0.337965
C -6.426204 0.454254 0.506007
C 5.931717 -1.155354 0.660894
H -0.772900 -1.625390 1.201410
H -1.950999 1.522001 -1.565821
H 0.504114 2.012361 -1.985751
H 3.381955 2.566327 -0.186738
H 2.864935 1.402147 1.089767
H -2.969290 -1.196044 0.814401
H 5.440279 1.592830 0.688168
H 5.127612 0.801490 -0.909887
H -5.672473 -1.239567 -0.632833
H -5.103152 -1.208699 1.052597
H 1.649331 -2.008695 1.570471
H 2.881942 -1.072586 0.732896
H -6.150094 1.075668 1.376548
H -7.378547 -0.057592 0.731685
H -6.578406 1.127368 -0.354313
H 6.159469 -1.364568 -0.404614
H 5.773826 -2.104484 1.196666
H 6.787122 -0.615192 1.116855


