%chk=000161108.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161108

0 1
 O   -5.733300       1.452400      8.9299999E-02
 O    5.635600      -1.483400     -0.5410000    
 O   0.4884000       1.653100     -0.8037000    
 N  -0.2377000      0.6724000     -0.4195000    
 N   0.1907000     -0.4977000     -0.1221000    
 C   -1.673400      0.8762000     -0.2865000    
 C   -4.391400       1.262000     -3.4899998E-02
 C    1.562800     -0.7461000     -0.2278000    
 C   -2.361900      0.1524000      0.6635000    
 C   -2.294900       1.786000      -1.115200    
 C    4.300000      -1.242400     -0.4379000    
 C   -3.737200      0.3476000      0.7908000    
 C   -3.670100       1.981200     -0.9879000    
 C    2.398000     -0.5231000      0.8669000    
 C    2.096100      -1.217300      -1.427500    
 C    3.766700     -0.7711000      0.7618000    
 C    3.464700      -1.465500      -1.532400    
 C   -6.534800      0.3291000      0.2048000    
 C    6.502600     -0.5317000     -3.0800000E-02
 C   -6.315800     -0.7446000     -0.6392000    
 C   -7.534300      0.3100000       1.160700    
 C    6.271200      0.8048000     -0.3017000    
 C    7.578200     -0.9422000      0.7358000    
 C   -7.123700      -1.875900     -0.5235000    
 C   -8.342200     -0.8212000       1.276600    
 C    7.145100       1.763400      0.2114000    
 C    8.452000      1.6300000E-02   1.248900    
 C   -8.136900      -1.914100      0.4344000    
 C    8.235500       1.369100      0.9867000    
 H   -1.872600     -0.5519000       1.329400    
 H   -1.750100       2.348200      -1.867500    
 H   -4.269000     -0.2072000       1.559400    
 H   -4.174800       2.693300      -1.635200    
 H    1.990500     -0.1611000       1.807300    
 H    1.453300      -1.394100      -2.285800    
 H    4.389400     -0.6105000       1.637900    
 H    3.874500      -1.831900      -2.469700    
 H   -5.549600     -0.7302000      -1.408700    
 H   -7.695100       1.159900       1.817000    
 H    5.443700       1.135800     -0.9223000    
 H    7.747900      -1.994900      0.9408000    
 H   -6.967600      -2.724800      -1.182700    
 H   -9.131200     -0.8509000       2.022300    
 H    6.979700       2.816400      2.7999999E-03
 H    9.301100     -0.2907000       1.852400    
 H   -8.766900      -2.794300      0.5237000    
 H    8.916700       2.115300       1.385100    


%chk=000161108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161108

0 1
O -6.028701 1.043856 0.626604
O 5.758833 -1.396896 0.402176
O 0.224929 2.135992 0.725815
N -0.355193 0.951553 0.584301
N 0.242376 -0.223719 0.450905
C -1.821815 0.920308 0.571810
C -4.624965 0.939295 0.552479
C 1.648681 -0.333753 0.447135
C -2.526165 -0.300243 0.451603
C -2.510538 2.149138 0.691975
C 4.413943 -0.973998 0.378299
C -3.933008 -0.293376 0.442141
C -3.916216 2.156595 0.681310
C 2.636384 0.696735 0.578739
C 2.091253 -1.686722 0.291465
C 4.005694 0.371272 0.544616
C 3.453167 -2.008297 0.257250
C -6.877220 0.040061 0.081978
C 6.822085 -0.518130 0.055934
C -6.664241 -0.511917 -1.202230
C -8.014685 -0.295994 0.845727
C 6.757839 0.343387 -1.063631
C 7.998809 -0.633432 0.825862
C -7.606874 -1.430822 -1.714577
C -8.951033 -1.212514 0.317743
C 7.894548 1.112103 -1.398557
C 9.128837 0.138196 0.475364
C -8.749344 -1.786560 -0.959413
C 9.080544 1.016187 -0.632893
H -1.965108 -1.233603 0.374862
H -1.932391 3.070819 0.788605
H -4.484033 -1.234897 0.365794
H -4.479939 3.088974 0.773779
H 2.318501 1.730043 0.712239
H 1.328628 -2.465688 0.196601
H 4.751235 1.163332 0.662722
H 3.795896 -3.040065 0.139714
H -5.790986 -0.218811 -1.793664
H -8.150705 0.162658 1.829590
H 5.846027 0.402624 -1.666188
H 8.012965 -1.320363 1.677211
H -7.450820 -1.860088 -2.710326
H -9.836158 -1.477802 0.905979
H 7.853158 1.780167 -2.265831
H 10.044741 0.053589 1.070226
H -9.476757 -2.497686 -1.364647
H 9.957721 1.614590 -0.900399


