%chk=000216528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216528

0 1
N -1.226500 -0.107451 1.066554
N 1.593276 0.318129 1.677142
N 3.222649 -0.860551 0.394259
N 3.009061 1.597300 0.224017
N 5.947561 0.227660 -1.666187
N 5.170923 -1.783184 -0.869761
C -0.553758 1.186298 0.712686
C -0.248555 -1.244156 0.990043
C 0.611784 1.442573 1.689499
C 0.917761 -0.983034 1.963681
C -2.406566 -0.364686 0.177507
C -3.593365 0.491500 0.661010
C 2.612546 0.332622 0.708654
C -4.835567 0.149198 -0.113191
C -5.137328 0.828890 -1.303480
C -5.698294 -0.858589 0.345221
C 4.327746 -0.761060 -0.393869
C 4.808917 0.519259 -0.895721
C 4.093028 1.682672 -0.556292
C -6.290793 0.505251 -2.022872
C -6.850285 -1.178239 -0.377837
C -7.149617 -0.497788 -1.562546
C 6.115718 -1.167460 -1.612627
H -1.301665 2.002681 0.813584
H -0.182618 1.214442 -0.334658
H 0.147712 -1.416242 -0.034411
H -0.774971 -2.174363 1.296107
H 1.114831 2.406223 1.450945
H 0.230125 1.522764 2.734080
H 0.543940 -0.925330 3.011949
H 1.651184 -1.821890 1.921687
H -2.202441 -0.164422 -0.895833
H -2.684732 -1.439913 0.249898
H -3.355385 1.569847 0.567705
H -3.743870 0.328181 1.749884
H -4.473563 1.609732 -1.667672
H -5.470119 -1.391759 1.266140
H 4.383399 2.676839 -0.913907
H -6.521077 1.036597 -2.944736
H -7.516962 -1.959681 -0.016837
H 6.513813 0.903494 -2.139574
H -8.047238 -0.747588 -2.123362
H 6.926394 -1.677564 -2.122579


%chk=000216528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216528

0 1
N -1.328893 -0.165425 0.619074
N 1.519457 0.150614 0.827945
N 3.556630 -0.888810 0.248734
N 3.299008 1.569430 0.192712
N 6.726016 0.353570 -0.798438
N 5.799024 -1.709350 -0.402722
C -0.681543 1.123484 0.263144
C -0.414335 -1.301207 0.326089
C 0.633410 1.306406 1.047223
C 0.902678 -1.157669 1.112577
C -2.659467 -0.350833 -0.007424
C -3.741350 0.602002 0.569908
C 2.830822 0.271924 0.410825
C -5.127794 0.240893 0.058015
C -5.633227 0.802047 -1.143351
C -5.928888 -0.705308 0.749175
C 4.835449 -0.704874 -0.157551
C 5.401551 0.597265 -0.402606
C 4.582405 1.726420 -0.212952
C -6.902370 0.429273 -1.641847
C -7.198664 -1.080879 0.256257
C -7.690031 -0.515025 -0.943476
C 6.898495 -1.033256 -0.778231
H -1.360896 1.955517 0.519163
H -0.463755 1.180618 -0.834844
H -0.178700 -1.369898 -0.766511
H -0.912694 -2.241564 0.626171
H 1.163162 2.216444 0.728961
H 0.396744 1.384112 2.128471
H 0.683417 -1.227126 2.197779
H 1.619943 -1.945747 0.838309
H -2.621544 -0.230716 -1.121092
H -2.978618 -1.392084 0.189838
H -3.504489 1.648071 0.299089
H -3.695848 0.527206 1.672207
H -5.030550 1.540701 -1.687067
H -5.555372 -1.144214 1.683138
H 4.923195 2.755715 -0.376778
H -7.277737 0.876148 -2.569714
H -7.805322 -1.808891 0.807109
H 7.428703 1.046104 -1.051330
H -8.675534 -0.802947 -1.326589
H 7.844610 -1.500937 -1.045090


