%chk=000198668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198668

0 1
N 0.535615 1.178725 -0.344394
N -1.072141 -1.411081 -0.305557
C -2.380907 1.203847 0.357230
C -1.326745 0.557042 1.293987
C -1.895275 0.874333 -1.079381
C 0.064143 1.192982 1.076338
C -0.518348 1.519186 -1.353262
C -1.295799 -0.976458 1.108342
C -1.877806 -0.652692 -1.314850
C -3.788134 0.630613 0.617457
C -2.471338 2.726252 0.582162
C 1.712164 2.099249 -0.514847
C -1.331259 -2.883421 -0.456635
C 2.958333 1.452654 0.115224
C -0.251673 -3.713300 0.262426
C 4.226965 2.245179 -0.224591
C 1.153696 -3.418938 -0.279295
C 5.466513 1.621572 0.413758
C 2.224675 -4.232354 0.443132
H -1.614758 0.753293 2.355642
H -2.613893 1.311125 -1.815345
H 0.059164 2.216853 1.512804
H 0.818797 0.603683 1.647792
H -0.132474 1.137409 -2.327186
H -0.661585 2.616703 -1.468851
H -0.439511 -1.390402 1.690664
H -2.222253 -1.408994 1.547373
H -2.928506 -1.012309 -1.384880
H -1.398616 -0.857273 -2.300189
H -4.118772 0.843371 1.639076
H -4.525471 1.067384 -0.063453
H -3.827413 -0.455451 0.484616
H -2.790744 2.956421 1.603593
H -1.512443 3.229788 0.422417
H -3.195374 3.184517 -0.098909
H 1.544225 3.109925 -0.086185
H 1.891898 2.241321 -1.603188
H -1.301974 -3.126110 -1.542182
H -2.335439 -3.187674 -0.089657
H 3.046941 0.406878 -0.245394
H 2.840153 1.375601 1.211795
H -0.488071 -4.787495 0.140584
H -0.279155 -3.518199 1.351042
H 4.120746 3.294131 0.113791
H 4.358912 2.291940 -1.323521
H 1.361024 -2.329897 -0.180106
H 1.189396 -3.622253 -1.366056
H 6.370456 2.185164 0.158807
H 5.389281 1.598172 1.506551
H 5.615648 0.589392 0.075493
H 3.220511 -4.010903 0.043504
H 2.245600 -4.007454 1.514990
H 2.058121 -5.309247 0.334726


%chk=000198668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198668

0 1
N 0.440753 1.140032 -0.323988
N -1.222854 -1.397515 -0.287454
C -2.471356 1.233154 0.379203
C -1.408794 0.557787 1.307481
C -1.979184 0.882188 -1.064853
C -0.006818 1.182965 1.085870
C -0.583690 1.502738 -1.331849
C -1.404449 -0.982318 1.116029
C -2.007072 -0.651226 -1.291330
C -3.899964 0.688772 0.651522
C -2.544945 2.768059 0.605326
C 1.715443 1.848291 -0.561086
C -1.247343 -2.858286 -0.491559
C 2.922437 1.238445 0.183095
C -0.054580 -3.591779 0.166867
C 4.261940 1.864851 -0.267581
C 1.314022 -3.078500 -0.333404
C 5.476443 1.295452 0.496719
C 2.504844 -3.734217 0.397465
H -1.679141 0.747543 2.367804
H -2.675102 1.329221 -1.805846
H -0.011754 2.232079 1.486628
H 0.724814 0.623376 1.699713
H -0.219815 1.153579 -2.319789
H -0.702700 2.615117 -1.420338
H -0.572194 -1.401043 1.714876
H -2.345803 -1.407444 1.557873
H -3.078138 -0.984665 -1.330348
H -1.578575 -0.873503 -2.289852
H -4.216162 0.945712 1.681126
H -4.624695 1.149569 -0.047269
H -3.981704 -0.404098 0.542063
H -2.857900 2.985843 1.644781
H -1.588720 3.286185 0.430280
H -3.296477 3.216890 -0.072595
H 1.637196 2.939823 -0.294831
H 1.919844 1.805150 -1.650063
H -1.210291 -3.040590 -1.584511
H -2.207252 -3.313228 -0.122289
H 2.934050 0.146133 -0.005003
H 2.814096 1.376368 1.277477
H -0.154618 -4.676486 -0.044921
H -0.105801 -3.490515 1.270067
H 4.219566 2.964995 -0.128209
H 4.396228 1.693965 -1.355455
H 1.337304 -1.977861 -0.216665
H 1.392881 -3.271758 -1.423441
H 6.423365 1.747909 0.148518
H 5.388270 1.489507 1.582525
H 5.552733 0.200481 0.357976
H 3.471859 -3.358214 0.013972
H 2.468790 -3.521675 1.483453
H 2.498111 -4.834456 0.273222


