%chk=000196071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196071

0 1
N -2.133543 -0.437716 -0.060053
N -0.328400 -2.643076 0.039541
N 1.751394 2.403664 0.866640
N 3.451284 0.323428 0.518216
C -0.758043 -0.201685 0.143047
C 0.123600 -1.416269 0.162502
C -2.636599 -1.759889 -0.194101
C 1.178895 1.280971 0.553174
C -0.241781 1.042973 0.317741
C 2.081762 0.065558 0.443818
C -1.713412 -2.842501 -0.131774
C 1.205112 4.558664 -0.234745
C 1.544261 -1.179837 0.311535
C -3.056130 0.687626 -0.118845
C 1.021212 3.668680 1.023833
C -4.011823 -2.018922 -0.386957
C -2.188385 -4.167890 -0.254691
C 0.332365 4.065606 -1.392364
C 0.872868 6.013437 0.117071
C -3.740558 1.078485 1.042193
C -3.240310 1.361703 -1.335734
C -4.449174 -3.330938 -0.506090
C -3.542492 -4.405681 -0.438767
C 4.508573 -0.601096 0.265138
C -4.623212 2.159257 0.974593
C -4.126500 2.440701 -1.382925
C -4.816743 2.838890 -0.232949
C 5.710484 -0.421839 0.985117
C 4.410254 -1.613996 -0.705493
C 6.790573 -1.266927 0.735890
C 5.503199 -2.452274 -0.934086
C 6.692286 -2.286146 -0.218401
H -0.873825 1.931151 0.304320
H 2.278614 4.502846 -0.548444
H 2.166588 -2.079768 0.321743
H 1.478262 4.172602 1.908711
H -0.059381 3.547728 1.253740
H -4.724290 -1.197090 -0.442549
H -1.468593 -4.987990 -0.202029
H 3.733287 1.266486 0.823084
H -0.735063 4.127849 -1.157670
H 0.504387 4.657807 -2.297497
H 0.555484 3.020056 -1.639960
H -0.158686 6.124193 0.467535
H 0.989656 6.664780 -0.756625
H 1.533894 6.400195 0.900187
H -3.582606 0.546093 1.980369
H -2.698032 1.046857 -2.227505
H -5.509841 -3.535203 -0.654091
H -3.910474 -5.425825 -0.533174
H -5.161714 2.473038 1.868945
H -4.279563 2.972678 -2.321998
H -5.506720 3.680697 -0.277809
H 5.793589 0.361248 1.735171
H 3.496714 -1.739680 -1.286645
H 7.717765 -1.133429 1.292991
H 5.425040 -3.240704 -1.683014
H 7.537593 -2.944280 -0.402459


%chk=000196071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196071

0 1
N -2.267707 -0.501424 -0.059790
N -0.525230 -2.756303 -0.198748
N 1.788544 2.239512 0.698592
N 3.317930 0.198419 0.444612
C -0.879450 -0.305169 0.088330
C -0.026404 -1.515135 -0.007718
C -2.817092 -1.786925 -0.267267
C 1.113751 1.116945 0.451831
C -0.316553 0.944089 0.318113
C 1.979922 -0.107942 0.308697
C -1.906453 -2.902650 -0.324823
C 1.428382 4.503417 -0.309474
C 1.394931 -1.355781 0.108241
C -3.151830 0.651924 0.012098
C 1.137313 3.539770 0.881216
C -4.211845 -1.998445 -0.416352
C -2.437970 -4.208624 -0.526580
C 0.770513 4.001851 -1.614077
C 0.961414 5.934395 0.043095
C -3.698520 1.036628 1.256665
C -3.446931 1.378719 -1.162952
C -4.704612 -3.301885 -0.616098
C -3.819073 -4.412708 -0.670887
C 4.495100 -0.559562 0.297200
C -4.555504 2.158529 1.323079
C -4.303832 2.500318 -1.090584
C -4.858863 2.890843 0.151032
C 5.688479 -0.017266 0.860026
C 4.573598 -1.790659 -0.413929
C 6.917034 -0.691449 0.728645
C 5.811247 -2.458315 -0.534987
C 6.988705 -1.923897 0.035333
H -0.958744 1.823882 0.391912
H 2.528090 4.512136 -0.453509
H 1.974121 -2.277765 0.065824
H 1.564722 3.998377 1.795988
H 0.034942 3.486225 1.027068
H -4.902991 -1.151749 -0.375738
H -1.722444 -5.035614 -0.564879
H 3.397471 1.215439 0.675945
H -0.333645 3.994968 -1.519276
H 1.032225 4.658195 -2.464745
H 1.100030 2.976537 -1.858271
H -0.130588 5.959414 0.226795
H 1.178108 6.634223 -0.784918
H 1.467800 6.314167 0.950522
H -3.452365 0.460603 2.154645
H -3.007784 1.064571 -2.115445
H -5.783226 -3.455652 -0.729636
H -4.214367 -5.421850 -0.826010
H -4.983599 2.458745 2.285420
H -4.537267 3.064996 -1.999514
H -5.523318 3.760036 0.204917
H 5.636745 0.932117 1.406832
H 3.693998 -2.207250 -0.907994
H 7.820059 -0.257122 1.172267
H 5.852926 -3.402059 -1.090749
H 7.943207 -2.451496 -0.062587


