%chk=000200210.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200210

0 1
S -1.845942 -3.794170 -1.119932
S 2.564090 -0.929620 1.439727
N -2.318131 -1.347822 -0.220586
N 4.021880 0.927588 0.064947
N -3.325859 -1.987203 -2.362611
N 5.124048 -1.095165 0.570973
C 0.470578 -3.175529 0.218617
C 1.349545 -3.339465 1.468850
C -0.887414 -3.830837 0.424506
C 2.737754 -2.742327 1.288729
C -2.547228 -2.151745 -1.206834
C 3.999045 -0.239104 0.607735
C -2.794978 -0.012461 -0.094546
C 2.907920 1.786425 -0.151338
C -4.152034 0.327024 -0.252744
C 2.955828 3.072948 0.420783
C -1.856532 0.967033 0.289824
C 1.846489 1.420419 -1.000867
C -4.560352 1.643238 -0.024692
C 1.938817 3.984428 0.135703
C -2.283846 2.275710 0.507505
C 0.841307 2.349363 -1.274833
C -3.632285 2.619329 0.348567
C 0.882064 3.628216 -0.709537
H 0.986399 -3.602634 -0.664194
H 0.334153 -2.092584 -0.003645
H 1.456562 -4.418651 1.711156
H 0.837310 -2.895426 2.349391
H -0.802739 -4.900642 0.699275
H -1.455964 -3.324507 1.235086
H 3.433934 -3.109466 2.064593
H 3.177928 -3.004608 0.306612
H -4.880756 -0.434985 -0.519940
H 3.783850 3.348351 1.070785
H -0.808651 0.693634 0.423385
H 1.814198 0.426694 -1.441995
H -3.556697 -1.040269 -2.639310
H -3.179128 -2.608027 -3.146727
H 5.387756 -1.500046 1.463947
H 5.940140 -0.705403 0.097031
H -5.610936 1.907554 -0.137854
H 1.970649 4.981010 0.574301
H -1.559187 3.034613 0.804463
H 0.016167 2.072696 -1.930819
H -3.956382 3.642323 0.522006
H 0.095730 4.345803 -0.930489


%chk=000200210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200210

0 1
S -2.041174 -4.102215 -1.167929
S 2.292152 -0.831450 1.238762
N -2.382854 -1.560456 -0.174731
N 4.105526 1.064669 0.175964
N -3.369778 -2.057825 -2.322447
N 5.001660 -1.035140 0.644656
C 0.394792 -3.422856 0.171322
C 1.235761 -3.434677 1.470416
C -0.989554 -4.046776 0.401093
C 2.591751 -2.713370 1.330654
C -2.657553 -2.352201 -1.169060
C 3.937418 -0.147482 0.601545
C -2.850813 -0.224155 -0.055159
C 3.126429 2.041531 -0.116316
C -4.231025 0.122142 -0.164633
C 3.366829 3.375018 0.317526
C -1.909092 0.796562 0.254404
C 1.965586 1.770798 -0.897685
C -4.646103 1.459678 0.021671
C 2.455918 4.405249 0.004604
C -2.332169 2.131366 0.423045
C 1.062661 2.809185 -1.210822
C -3.701472 2.473012 0.307000
C 1.296623 4.129965 -0.759804
H 0.933910 -3.972947 -0.624780
H 0.259614 -2.382678 -0.173979
H 1.443136 -4.483430 1.769054
H 0.660008 -2.980635 2.301166
H -0.934866 -5.098835 0.732993
H -1.572832 -3.451237 1.123605
H 3.225670 -2.919801 2.211844
H 3.109506 -3.024332 0.406334
H -4.974191 -0.664035 -0.345857
H 4.273766 3.578298 0.896180
H -0.853638 0.525311 0.363319
H 1.783227 0.753258 -1.259273
H -3.745076 -1.118071 -2.449247
H -3.434799 -2.724845 -3.088029
H 4.970606 -1.885088 1.199523
H 5.899324 -0.691812 0.304285
H -5.711679 1.708225 -0.049758
H 2.654206 5.425559 0.352787
H -1.587123 2.901914 0.652269
H 0.172806 2.584853 -1.810569
H -4.027543 3.509137 0.448635
H 0.593550 4.932323 -1.009573


