%chk=000186034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186034

1 1
S 1.293995 -0.734808 -0.868146
N 0.903406 1.517219 0.256275
N -5.315779 -0.688253 0.096595
C 2.685591 0.269378 -0.573889
C 4.027269 -0.201271 -0.981853
C 2.323266 1.427674 0.056856
C 4.746025 -0.928470 0.169043
C 0.206425 0.429919 -0.173935
C 6.159777 -1.358365 -0.246861
C -1.196080 0.175412 -0.099108
C 3.207319 2.522069 0.509410
C 0.278232 2.709936 0.859787
C -1.883493 -0.366494 -1.219709
C -1.934074 0.400589 1.093489
C 6.877959 -2.080037 0.889026
C -3.979085 -0.413006 0.034786
C -3.228580 -0.645425 -1.167545
C -3.277530 0.119647 1.170087
C -6.049704 -1.248166 -1.060350
C -6.101909 -0.461283 1.329808
H 3.970264 -0.870595 -1.869858
H 4.646551 0.659612 -1.327708
H 4.164072 -1.816811 0.484248
H 4.799955 -0.273850 1.060525
H 6.112114 -2.019958 -1.135204
H 6.752575 -0.475787 -0.559888
H 3.053969 2.786340 1.568829
H 4.274387 2.243477 0.418912
H 3.078525 3.441348 -0.087472
H 0.742042 3.638726 0.472360
H -0.802492 2.765497 0.614982
H 0.387625 2.704449 1.961181
H -1.336063 -0.547475 -2.149608
H -1.415683 0.781117 1.977034
H 6.348944 -2.989255 1.198443
H 6.988570 -1.445618 1.776078
H 7.888183 -2.385644 0.585494
H -3.724030 -1.047082 -2.049903
H -3.807283 0.292278 2.104987
H -5.642690 -2.234520 -1.352376
H -5.998393 -0.568670 -1.931750
H -7.118895 -1.393402 -0.823202
H -6.081425 0.604294 1.625225
H -5.716615 -1.072284 2.167658
H -7.161538 -0.738653 1.184748


%chk=000186034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186034

1 1
S 1.464163 -0.593337 -0.607635
N 0.896818 1.758871 0.352929
N -5.271622 -0.832930 0.104030
C 2.819330 0.582217 -0.292460
C 4.227330 0.175632 -0.622656
C 2.322590 1.756770 0.232814
C 4.701025 -1.135140 0.068410
C 0.258876 0.602580 -0.026016
C 6.153315 -1.495430 -0.317135
C -1.149968 0.290863 0.015276
C 3.113856 2.967735 0.646731
C 0.170650 2.993704 0.739216
C -1.701410 -0.620088 -0.946051
C -2.038974 0.785292 1.027219
C 6.636160 -2.799454 0.352085
C -3.940400 -0.476635 0.080114
C -3.044713 -0.988154 -0.926022
C -3.383345 0.415381 1.064098
C -5.811813 -1.779418 -0.894004
C -6.174316 -0.289648 1.139632
H 4.328574 0.054380 -1.720626
H 4.910982 0.998905 -0.343896
H 4.030262 -1.971721 -0.216596
H 4.619872 -1.024817 1.167490
H 6.225979 -1.593991 -1.419230
H 6.826741 -0.661824 -0.032384
H 2.829180 3.316913 1.655067
H 4.186858 2.726763 0.672268
H 2.985249 3.811408 -0.056898
H 0.714886 3.867700 0.353572
H -0.834121 2.978454 0.293081
H 0.085718 3.079552 1.835685
H -1.061417 -1.016760 -1.743212
H -1.660276 1.417224 1.836309
H 6.002465 -3.657466 0.060220
H 6.608199 -2.718450 1.454545
H 7.674534 -3.035051 0.059689
H -3.412550 -1.667438 -1.698337
H -4.007168 0.797594 1.875458
H -5.305711 -2.761363 -0.834545
H -5.703836 -1.386631 -1.922674
H -6.882773 -1.937786 -0.703046
H -6.194832 0.815883 1.114285
H -5.872106 -0.615807 2.153226
H -7.196560 -0.650683 0.957476


