%chk=000183134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183134

0 1
N -2.610358 1.190085 0.250268
N -3.471248 0.313859 -1.694670
N -3.388580 -0.573517 1.843293
N 2.040787 -0.546056 -1.898428
N 2.980246 -2.542353 -1.346547
N 1.375960 -1.602609 -2.437810
N 1.956596 -2.795371 -2.094954
C -1.806761 2.028018 1.159445
C -3.262391 -0.003179 0.604173
C -2.751017 1.319838 -1.170256
C -3.811581 -0.532391 -0.620078
C -0.340939 1.680284 1.046188
C -2.156366 2.449705 -1.939291
C -4.555413 -1.732982 -0.555520
C -4.104967 -1.723464 1.863092
C -4.688394 -2.312944 0.702657
C 0.558294 2.579174 0.458146
C 0.113378 0.436857 1.511318
C 2.347213 0.967650 0.736065
C -2.789307 3.789665 -1.574800
C -5.159530 -2.334701 -1.773267
C 1.901108 2.225140 0.305005
C 1.452422 0.080012 1.355541
C 3.755735 0.565792 0.519070
C -4.269889 -2.385165 3.193040
C 4.090630 -0.448869 -0.402164
C 4.776661 1.194634 1.247445
C 5.431611 -0.834249 -0.568092
C 6.108552 0.813437 1.071330
C 3.062441 -1.121743 -1.193270
C 6.435989 -0.202447 0.166907
H -2.164866 1.864936 2.208538
H -1.997960 3.102238 0.914374
H -1.055781 2.476671 -1.774136
H -2.292070 2.252660 -3.028940
H -5.248122 -3.237628 0.815849
H 0.216549 3.552682 0.110877
H -0.588900 -0.256398 1.981992
H -3.874954 3.776011 -1.743387
H -2.373500 4.600795 -2.183845
H -2.625270 4.044877 -0.518727
H -6.251824 -2.420659 -1.681333
H -4.957550 -1.728929 -2.673400
H -4.764316 -3.342514 -1.964543
H 2.597744 2.915928 -0.168231
H 1.804134 -0.891381 1.704118
H -3.774650 -1.821559 4.000649
H -5.331580 -2.474115 3.463291
H -3.838142 -3.396035 3.189994
H 4.522167 1.979876 1.959370
H 5.681932 -1.633193 -1.269101
H 6.894243 1.306538 1.643256
H 7.474709 -0.503347 0.036266
H 0.535824 -1.493467 -3.004067


%chk=000183134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183134

0 1
N -2.683069 1.045178 0.286086
N -3.714148 0.243914 -1.601724
N -3.580696 -0.529097 1.953073
N 2.454139 -0.514036 -2.068618
N 3.930385 -2.281648 -2.048378
N 2.140038 -1.488322 -2.974342
N 3.008922 -2.573265 -2.993890
C -1.799264 1.814041 1.183557
C -3.467288 -0.043162 0.698049
C -2.863885 1.170890 -1.107840
C -4.107083 -0.526826 -0.486572
C -0.318983 1.496871 0.993480
C -2.215252 2.250730 -1.926059
C -4.975470 -1.640125 -0.368102
C -4.423221 -1.605793 2.067750
C -5.112042 -2.160489 0.944400
C 0.621476 2.527468 0.761686
C 0.142100 0.157017 1.062417
C 2.450899 0.889221 0.628809
C -2.957924 3.612420 -1.831514
C -5.694635 -2.216500 -1.564672
C 1.991279 2.229039 0.589146
C 1.504953 -0.140994 0.881699
C 3.905733 0.578666 0.469857
C -4.590369 -2.180561 3.458668
C 4.414153 -0.381234 -0.462338
C 4.828516 1.228530 1.331784
C 5.800002 -0.699556 -0.462894
C 6.205948 0.925160 1.308749
C 3.585407 -1.036816 -1.489102
C 6.692448 -0.058101 0.417043
H -2.121884 1.545164 2.207329
H -1.980729 2.894282 1.042303
H -1.158206 2.374626 -1.624927
H -2.224231 1.905639 -2.974020
H -5.767723 -3.021583 1.111382
H 0.283153 3.570244 0.707400
H -0.572675 -0.649376 1.262721
H -4.004930 3.503297 -2.163355
H -2.465594 4.363606 -2.474789
H -2.968524 4.005101 -0.798170
H -6.341688 -1.453629 -2.035335
H -4.972412 -2.530781 -2.340261
H -6.316120 -3.084224 -1.286611
H 2.704087 3.036615 0.386798
H 1.848084 -1.179783 0.947067
H -3.609074 -2.458836 3.883230
H -5.032040 -1.428611 4.138022
H -5.239088 -3.072246 3.454608
H 4.443311 1.955918 2.054719
H 6.161490 -1.446919 -1.176069
H 6.890053 1.439286 1.992602
H 7.756812 -0.314916 0.400294
H 1.323556 -1.429398 -3.582447


