%chk=000180099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180099

0 1
O -3.663892 -1.928633 0.987000
O 0.559356 -3.599778 0.584344
O -3.487599 -1.207577 -1.568110
O 2.052465 3.579183 -0.898692
O 0.862915 2.066072 0.074730
N -1.218734 -1.509339 -1.670872
N -1.411063 -2.508898 0.965613
N 4.220463 -1.683442 0.348998
N 1.932979 2.515832 -0.311842
C 0.044306 -1.826903 -0.964781
C -2.392834 -1.463473 0.561551
C 0.785513 -0.543008 -0.544399
C -0.236175 -2.729957 0.260285
C -2.416543 -1.352153 -1.000340
C -2.098956 -0.127058 1.266388
C 2.212190 -0.729377 -0.182879
C -1.160604 -1.346662 -3.141412
C -1.717691 -3.325382 2.166045
C 3.170679 0.333132 0.012592
C -2.957727 1.004659 0.773717
C 2.876033 -1.931874 0.041395
C 4.431956 -0.296654 0.334728
C 3.164051 1.744011 -0.042317
C -2.379828 2.086413 0.095142
C -4.340117 0.992063 1.018093
C 5.612988 0.430576 0.567955
C 4.335726 2.466665 0.171536
C 5.548811 1.811031 0.477350
C -3.182855 3.144966 -0.339979
C -5.136954 2.050772 0.578176
C -4.560207 3.129396 -0.101549
H 0.698058 -2.423184 -1.664083
H 0.250953 -0.048396 0.314694
H 0.705990 0.200626 -1.372051
H -1.013529 0.126062 1.162975
H -2.264811 -0.264987 2.359459
H -0.446193 -0.556130 -3.423435
H -2.160806 -1.058309 -3.527762
H -0.870868 -2.292581 -3.628307
H -1.113350 -4.251622 2.159027
H -2.789331 -3.598728 2.177187
H -1.486318 -2.761116 3.083954
H -4.318553 -1.938274 0.226268
H 2.474961 -2.943991 0.025880
H 4.910131 -2.378515 0.565236
H -1.303520 2.116488 -0.091028
H -4.786499 0.148155 1.545106
H 6.542812 -0.080125 0.810166
H 4.321846 3.559783 0.103244
H 6.442482 2.413816 0.644449
H -2.729501 3.983748 -0.866272
H -6.209354 2.035646 0.763491
H -5.182549 3.953031 -0.444064


%chk=000180099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180099

0 1
O -3.931810 -2.152589 0.647618
O 0.552591 -3.480611 0.971865
O -3.433755 -1.233582 -1.750722
O 2.337510 3.807136 -0.905353
O 1.152198 2.277947 0.298541
N -1.115689 -1.386227 -1.508638
N -1.611720 -2.626348 0.985631
N 4.349135 -1.632943 0.346728
N 2.240412 2.673813 -0.288246
C 0.054716 -1.748780 -0.669479
C -2.595846 -1.612145 0.499679
C 0.834974 -0.464504 -0.230053
C -0.325497 -2.685651 0.497594
C -2.393839 -1.379442 -1.027471
C -2.486508 -0.306503 1.364409
C 2.321330 -0.630868 -0.001612
C -0.871114 -1.148677 -2.944403
C -1.983744 -3.473684 2.138520
C 3.351949 0.396834 -0.018060
C -3.265118 0.888073 0.837044
C 2.976394 -1.845615 0.241772
C 4.622681 -0.275534 0.177262
C 3.432843 1.813577 -0.206301
C -2.577856 2.000804 0.285955
C -4.682145 0.921368 0.901930
C 5.869672 0.376821 0.161253
C 4.677536 2.479806 -0.255743
C 5.886040 1.768459 -0.070561
C -3.293636 3.117711 -0.202223
C -5.397389 2.035471 0.411628
C -4.705815 3.137063 -0.144901
H 0.725381 -2.354243 -1.309974
H 0.367951 -0.023043 0.666526
H 0.675149 0.281928 -1.027377
H -1.422304 -0.038203 1.474662
H -2.857339 -0.601675 2.364395
H -0.094128 -0.375391 -3.078909
H -1.810114 -0.807475 -3.405242
H -0.541428 -2.080108 -3.441765
H -1.417612 -4.415535 2.074863
H -3.064980 -3.664185 2.091799
H -1.728136 -2.981701 3.095918
H -4.385440 -1.979141 -0.233597
H 2.520258 -2.826356 0.383113
H 5.043550 -2.357852 0.513395
H -1.480924 2.009897 0.251967
H -5.217244 0.071779 1.340479
H 6.801627 -0.176675 0.319250
H 4.681256 3.561086 -0.415376
H 6.837016 2.308980 -0.091697
H -2.747299 3.971545 -0.618439
H -6.492037 2.047644 0.466812
H -5.260999 4.003547 -0.521866


