%chk=000296002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296002

0 1
O -0.204624 -0.069606 0.202235
O 0.271257 0.103648 2.431414
O -6.370960 -0.144415 1.243822
O -6.410536 -0.294822 -0.905530
N 6.057116 0.141933 -0.525900
N -5.810992 -0.206250 0.156901
C 4.739121 0.027098 -0.084120
C 2.053914 0.026272 0.796654
C -3.592199 -0.236497 -1.050103
C 4.428753 0.116336 1.304534
C 3.666662 -0.077192 -1.016278
C -1.577602 -0.094636 0.295615
C 3.112387 0.121124 1.727297
C 2.354301 -0.070836 -0.577226
C -4.348749 -0.171190 0.149141
C -2.196322 -0.197022 -0.960679
C -2.318365 -0.028829 1.488049
C -3.699647 -0.067838 1.401789
C 0.688867 0.031793 1.305943
C 7.174296 -0.034865 0.433639
C 6.402074 -0.229789 -1.919765
C -4.236905 -0.344483 -2.383292
H 5.225498 0.191895 2.040851
H 3.871487 -0.152072 -2.081430
H 2.876369 0.195101 2.794322
H 1.532756 -0.145625 -1.297411
H -1.577529 -0.244293 -1.855547
H -1.817451 0.051474 2.458461
H -4.312178 -0.018587 2.312865
H 8.117051 0.320782 -0.015841
H 7.000769 0.576017 1.338883
H 7.309028 -1.085490 0.741434
H 7.411340 0.139341 -2.169593
H 6.377646 -1.319612 -2.088255
H 5.701180 0.250250 -2.627527
H -3.524111 -0.385316 -3.215350
H -4.882415 -1.240341 -2.448804
H -4.923687 0.502340 -2.569796


%chk=000296002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296002

0 1
O -0.229779 -0.108060 0.153180
O 0.340042 0.075364 2.444243
O -6.479677 -0.088587 1.398767
O -6.584823 -0.255673 -0.865795
N 6.158553 -0.056654 -0.500029
N -5.912221 -0.167696 0.237333
C 4.829379 -0.046164 -0.092014
C 2.082866 -0.026793 0.748069
C -3.715054 -0.246793 -1.053724
C 4.479080 0.047714 1.298588
C 3.758821 -0.129909 -1.046180
C -1.632790 -0.114860 0.284311
C 3.139525 0.056986 1.699188
C 2.421954 -0.120406 -0.631067
C -4.434040 -0.156217 0.180840
C -2.306090 -0.222195 -0.955347
C -2.362808 -0.026610 1.498666
C -3.763573 -0.049236 1.423758
C 0.700925 -0.009810 1.246800
C 7.239984 0.028755 0.494178
C 6.494096 -0.152865 -1.929283
C -4.338484 -0.364985 -2.430522
H 5.258874 0.113707 2.061479
H 3.978152 -0.202531 -2.114427
H 2.880444 0.129749 2.760890
H 1.621372 -0.185537 -1.372524
H -1.700152 -0.287865 -1.863879
H -1.848909 0.056380 2.455149
H -4.367983 0.016149 2.331940
H 8.212524 0.000804 -0.020518
H 7.188397 0.970959 1.074916
H 7.207203 -0.818416 1.207392
H 7.588301 -0.150391 -2.048859
H 6.104117 -1.087530 -2.378798
H 6.085952 0.702503 -2.503358
H -3.548698 -0.417446 -3.198987
H -4.978317 -1.260359 -2.511494
H -4.999563 0.490314 -2.651476


