%chk=000237497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237497

0 1
O 0.313024 -2.203104 -0.362510
O 3.092968 1.653270 0.645862
N -1.085399 -0.404255 -0.028519
N 1.285824 -0.222773 0.341324
C -2.887945 1.080941 0.024353
C -3.421495 -0.272202 -0.026440
C -1.452730 0.984349 0.015002
C -2.307988 -1.171357 -0.071937
C -3.504401 2.327299 0.064791
C -4.720099 -0.777571 -0.040788
C -0.661081 2.133192 0.029263
C -2.485962 -2.553888 -0.137159
C 0.210911 -1.029538 -0.052283
C -2.703647 3.474661 0.089348
C -4.898792 -2.162418 -0.101578
C -1.306608 3.374257 0.068111
C -3.797885 -3.033062 -0.150071
C 2.657269 -0.619811 0.251444
C 3.643752 0.399433 0.436532
C 3.083021 -1.928187 0.013449
C 5.002266 0.104563 0.392115
C 4.454013 -2.220894 -0.035934
C 5.402369 -1.219592 0.152418
C 3.998705 2.740253 0.951998
H -4.590099 2.404237 0.074556
H -5.573641 -0.104577 -0.005924
H 0.428705 2.092917 0.000581
H -1.628471 -3.229772 -0.185507
H -3.171563 4.456868 0.121547
H -5.906001 -2.574805 -0.113625
H -0.704551 4.283111 0.079414
H -3.969599 -4.108595 -0.201078
H 1.129586 0.755087 0.637864
H 2.347169 -2.727862 -0.138173
H 5.752762 0.876163 0.533496
H 4.769225 -3.246569 -0.223782
H 6.464847 -1.456124 0.113983
H 4.661135 2.929001 0.101811
H 4.558018 2.523295 1.866963
H 3.303086 3.575757 1.103382


%chk=000237497-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237497

0 1
O 0.311165 -2.312658 -0.727288
O 2.849641 1.505375 1.061921
N -1.070320 -0.470131 -0.244302
N 1.255494 -0.341725 0.135900
C -2.779809 1.093839 -0.063795
C -3.360579 -0.236731 0.076121
C -1.369146 0.930766 -0.275859
C -2.297997 -1.185165 -0.062938
C -3.350292 2.385681 -0.059868
C -4.681635 -0.686603 0.300283
C -0.539833 2.045411 -0.535874
C -2.528576 -2.574568 0.008921
C 0.202576 -1.122454 -0.317665
C -2.520026 3.504012 -0.284099
C -4.922950 -2.073747 0.381321
C -1.133341 3.328692 -0.530467
C -3.855789 -3.001704 0.236659
C 2.638680 -0.655834 0.085332
C 3.516455 0.351672 0.594940
C 3.188416 -1.856979 -0.419502
C 4.910743 0.161903 0.602854
C 4.590764 -2.041410 -0.416817
C 5.448972 -1.044263 0.091379
C 3.657523 2.571761 1.655414
H -4.425652 2.516067 0.103119
H -5.503913 0.029168 0.408391
H 0.522790 1.947645 -0.773482
H -1.712348 -3.285365 -0.128363
H -2.947197 4.512357 -0.285844
H -5.940165 -2.442338 0.552115
H -0.505534 4.203016 -0.734816
H -4.065342 -4.075609 0.294067
H 1.049011 0.544562 0.608566
H 2.514023 -2.626935 -0.797659
H 5.578382 0.935139 0.994049
H 5.006814 -2.974283 -0.810970
H 6.533501 -1.195289 0.094640
H 4.360479 2.996854 0.913858
H 4.218761 2.200916 2.533976
H 2.936951 3.340654 1.970081


