%chk=000188185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188185

0 1
O 3.318857 1.817093 -1.018463
O 6.115606 3.042883 0.537550
O 4.459568 0.253261 -2.799172
O -0.028591 2.175282 0.388442
O 4.053035 -3.320332 -0.379641
N 1.872320 0.925948 0.634894
N -0.240909 -0.125915 0.080924
N 2.564857 -0.651664 2.289656
N 2.591058 -1.148486 -1.405794
N 3.603001 -2.774246 1.805624
N 3.314106 -2.081146 4.063215
C 5.179742 1.959082 0.509600
C 2.735968 2.082493 0.282797
C 3.889917 2.318812 1.266585
C 4.766123 1.852791 -0.976984
C 5.292334 0.600253 -1.688440
C 2.461621 -0.353238 0.891411
C 0.458642 1.059907 0.341726
C -3.877562 0.688397 0.021965
C -4.994295 1.693705 0.185120
C -4.412854 -0.595348 -0.308412
C -6.233995 0.869843 -0.077590
C -5.874480 -0.484362 -0.369499
C -1.666583 -0.220037 -0.054875
C 2.883921 -1.266976 -0.039199
C -2.515630 0.889039 0.151300
C -3.564666 -1.674756 -0.513465
C -2.181384 -1.488071 -0.386541
C -7.560640 1.262380 -0.065197
C -6.852008 -1.428507 -0.645989
C 3.142587 -1.872660 2.672458
C 3.565882 -2.548863 0.414165
C -8.546890 0.297394 -0.346652
C -8.199035 -1.022433 -0.631578
H 5.668273 1.046376 0.906486
H 2.077868 2.977801 0.122632
H 3.783138 1.747973 2.202830
H 3.914408 3.387088 1.568278
H 5.045247 2.785878 -1.525205
H 6.326897 0.756942 -2.051058
H 5.260943 -0.312221 -1.060762
H 6.539870 3.117582 1.416113
H -5.000816 2.142368 1.196751
H -4.896774 2.533418 -0.530311
H 0.286932 -0.986671 -0.124048
H -2.108380 1.874628 0.393176
H 4.238286 1.050387 -3.330399
H 2.240911 0.043154 2.960689
H -3.960715 -2.655762 -0.771232
H -1.515604 -2.332587 -0.553686
H -7.844201 2.287975 0.154433
H -6.589647 -2.458982 -0.869988
H -9.594896 0.592357 -0.340780
H -8.976785 -1.753030 -0.847246
H 2.626695 -0.185802 -1.769664
H 3.154803 -1.762014 -2.001426
H 3.730819 -2.987280 4.293314
H 2.517002 -1.875600 4.654460


%chk=000188185-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188185

0 1
O 3.454630 1.679688 -1.133162
O 6.426533 2.713992 0.673733
O 5.289345 1.422745 -3.471161
O 0.048637 2.298797 0.160372
O 3.762074 -3.580610 -0.330521
N 1.903463 0.879837 0.519202
N -0.254483 -0.039457 0.225818
N 2.250763 -0.787041 2.222248
N 3.095791 -1.177551 -1.384799
N 3.106003 -2.990960 1.847782
N 2.436247 -2.354496 3.995396
C 5.295726 1.825650 0.391623
C 2.825260 1.967417 0.205083
C 4.009327 2.159352 1.192351
C 4.878502 2.061085 -1.077734
C 5.690955 1.231887 -2.075630
C 2.385169 -0.421819 0.845750
C 0.498982 1.122907 0.278136
C -3.926407 0.710822 -0.016399
C -5.064089 1.723451 -0.086758
C -4.454674 -0.614965 -0.059391
C -6.304642 0.839967 -0.167165
C -5.923549 -0.537954 -0.152014
C -1.669738 -0.165346 0.121844
C 2.913033 -1.358048 -0.037657
C -2.547413 0.953414 0.071721
C -3.576473 -1.720418 -0.015344
C -2.189716 -1.490827 0.075951
C -7.659579 1.204128 -0.248062
C -6.903929 -1.553322 -0.219430
C 2.603405 -2.050539 2.656561
C 3.296624 -2.724973 0.489419
C -8.643387 0.184466 -0.314513
C -8.266254 -1.181792 -0.300604
H 5.580841 0.762616 0.535968
H 2.201643 2.870816 0.101113
H 3.898368 1.535209 2.093776
H 4.063417 3.218548 1.500090
H 4.983597 3.147500 -1.295973
H 6.763821 1.475947 -1.921624
H 5.535573 0.156123 -1.887876
H 6.864443 2.440889 1.517668
H -5.082063 2.386349 0.800496
H -4.969065 2.384809 -0.970336
H 0.280046 -0.914924 0.222848
H -2.134967 1.964113 0.091066
H 5.358350 2.382766 -3.705858
H 1.860257 -0.080659 2.849097
H -3.955684 -2.747314 -0.052563
H -1.498595 -2.342918 0.107698
H -7.958426 2.258863 -0.260770
H -6.620504 -2.612029 -0.209999
H -9.703738 0.453565 -0.378240
H -9.039461 -1.956602 -0.353888
H 3.065631 -0.237532 -1.791374
H 3.459828 -1.986820 -1.893295
H 2.701163 -3.295953 4.275236
H 2.003287 -1.727350 4.667392


