%chk=000184203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184203

0 1
O 2.842112 0.618911 1.261025
O -1.738611 0.307161 -0.720766
O -3.834925 1.118776 -0.484154
N -0.908168 1.104904 -3.851212
C -0.047731 1.993232 -0.603192
C -1.324315 1.574872 -1.303921
C 0.793158 1.026652 -0.042165
C 1.963680 1.461607 0.587687
C 0.273329 3.355005 -0.531901
C 2.312338 2.819887 0.675162
C 1.450978 3.759123 0.110231
C 2.991649 -0.709120 0.846303
C -3.080221 0.182261 -0.335416
C 2.994385 -1.099294 -0.496603
C 3.248982 -1.601352 1.897385
C -4.439111 -1.620362 0.693119
C -1.089158 1.312898 -2.731082
C -3.270572 -1.155365 0.198395
C 3.262204 -2.440007 -0.787996
C 3.519999 -2.931830 1.575384
C 3.522686 -3.353102 0.239437
C -4.541125 -3.022587 1.197736
C -5.684852 -0.812646 0.780906
H -2.151871 2.330353 -1.171952
H 0.521594 -0.029965 -0.082705
H -0.383623 4.103115 -0.971328
H 3.232437 3.112144 1.177682
H 1.698271 4.820162 0.165758
H 2.806271 -0.381034 -1.291690
H 3.240921 -1.248510 2.926004
H -2.375122 -1.786230 0.167457
H 3.270741 -2.771662 -1.826704
H 3.728009 -3.646961 2.371181
H 3.731274 -4.393660 0.000288
H -5.121061 -3.085940 2.129982
H -3.563011 -3.484442 1.395950
H -5.050486 -3.664696 0.460920
H -5.672610 0.070826 0.111594
H -5.824210 -0.411888 1.797708
H -6.584935 -1.390636 0.533895


%chk=000184203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184203

0 1
O 3.007331 0.421623 1.384624
O -2.050269 -0.544595 -0.751874
O -3.655188 1.163367 -0.762588
N 0.068223 -1.061611 -3.371063
C -0.164794 1.065394 -0.525824
C -1.134311 0.395760 -1.491211
C 0.999986 0.390580 -0.088799
C 1.860052 1.030174 0.830462
C -0.469991 2.360890 -0.043249
C 1.565182 2.323130 1.322550
C 0.397480 2.980113 0.884792
C 3.708751 -0.613613 0.705880
C -3.329461 -0.005703 -0.427632
C 3.968685 -0.576663 -0.683517
C 4.233524 -1.637826 1.522566
C -5.369426 -0.895238 0.788494
C -0.473244 -0.421988 -2.523196
C -4.091522 -1.028275 0.304060
C 4.754543 -1.600727 -1.257725
C 5.024001 -2.650023 0.935131
C 5.283158 -2.639107 -0.455681
C -6.015149 -2.054686 1.520839
C -6.221646 0.347159 0.652171
H -1.772793 1.162141 -1.973096
H 1.224257 -0.617105 -0.453097
H -1.381857 2.865975 -0.378382
H 2.252887 2.785278 2.036857
H 0.167006 3.981158 1.263690
H 3.575760 0.234981 -1.303651
H 4.019486 -1.624685 2.595388
H -3.550920 -1.968841 0.452925
H 4.955170 -1.580594 -2.334310
H 5.433328 -3.447902 1.564310
H 5.891445 -3.428640 -0.909149
H -6.308876 -1.750590 2.544522
H -5.349465 -2.930292 1.594150
H -6.946526 -2.364722 1.007854
H -5.705264 1.153619 0.113987
H -6.517728 0.711212 1.655853
H -7.162527 0.101470 0.121344


