%chk=000179170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179170

0 1
O -1.920102 0.139633 0.230679
O -3.720181 0.125766 -1.128024
O 3.025048 0.797380 -0.005384
N -2.609475 2.384440 2.592211
C -2.774330 -2.031580 -0.289056
C -2.790113 -2.326309 1.213810
C -3.957859 -2.704435 -0.991519
C -1.445849 -2.452782 -0.927359
C -2.924295 -0.509126 -0.484804
C -1.890518 1.596583 0.196291
C -0.470624 2.011959 -0.129501
C 0.588312 1.124681 0.086895
C -0.240049 3.294462 -0.644120
C 1.879518 1.551897 -0.239316
C 1.067169 3.698488 -0.945091
C 2.142731 2.832398 -0.753225
C -2.289780 2.040715 1.538542
C 2.951612 -0.599485 -0.038231
C 2.192520 -1.302319 -0.979667
C 3.792996 -1.234984 0.886445
C 2.286138 -2.697259 -0.986341
C 3.869567 -2.627715 0.852844
C 3.116884 -3.358548 -0.076054
H -3.733700 -2.023988 1.683796
H -2.658927 -3.396969 1.408811
H -1.981602 -1.795304 1.736870
H -4.919210 -2.391721 -0.563405
H -3.899331 -3.795261 -0.906688
H -3.995023 -2.455630 -2.060258
H -0.593444 -1.936670 -0.462316
H -1.277826 -3.529626 -0.806625
H -1.419143 -2.237354 -2.001679
H -2.626420 1.960446 -0.577412
H 0.401514 0.135365 0.507846
H -1.066998 3.983140 -0.807220
H 1.244858 4.700494 -1.338707
H 3.165419 3.125162 -0.983959
H 1.563829 -0.777932 -1.695290
H 4.366615 -0.643966 1.597489
H 1.710155 -3.270450 -1.712709
H 4.517966 -3.149031 1.557542
H 3.183246 -4.444465 -0.090712


%chk=000179170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179170

0 1
O -2.049206 -0.407850 0.502326
O -3.747207 0.896276 -0.421926
O 3.366674 0.897540 -0.517637
N -0.651338 0.274647 3.525685
C -3.766558 -1.581488 -0.753556
C -4.067594 -2.500513 0.467359
C -5.055960 -1.330106 -1.571040
C -2.675400 -2.238954 -1.649324
C -3.238311 -0.232320 -0.239797
C -1.427884 0.863026 1.046592
C -0.308695 1.329210 0.127541
C 1.011088 0.842549 0.279618
C -0.623737 2.242001 -0.909524
C 2.008232 1.266168 -0.626899
C 0.390305 2.663405 -1.797988
C 1.707514 2.178227 -1.664648
C -0.994519 0.529631 2.413012
C 3.757299 -0.333979 0.078143
C 3.075426 -1.547966 -0.168232
C 4.939716 -0.300637 0.847236
C 3.587184 -2.742243 0.386357
C 5.442341 -1.503885 1.389452
C 4.767240 -2.726965 1.166333
H -4.832847 -2.052977 1.127381
H -4.454709 -3.469722 0.103792
H -3.157617 -2.683720 1.062598
H -5.833907 -0.847901 -0.954333
H -5.448912 -2.293407 -1.943084
H -4.860767 -0.673216 -2.436485
H -1.752587 -2.427477 -1.075963
H -3.056088 -3.201869 -2.035723
H -2.425801 -1.597533 -2.514182
H -2.232294 1.623778 1.080831
H 1.260311 0.159690 1.098521
H -1.650623 2.605794 -1.021080
H 0.154548 3.372627 -2.598037
H 2.508970 2.493954 -2.338912
H 2.173136 -1.563455 -0.787802
H 5.444057 0.656989 1.006631
H 3.064169 -3.686712 0.200311
H 6.358552 -1.483287 1.989423
H 5.157098 -3.657230 1.592427


