%chk=000231441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231441

0 1
S -0.059624 -0.895259 -0.013637
N 4.908156 -0.433239 0.002896
N 1.253240 1.439264 0.029123
N 3.678620 1.749807 0.038680
N 4.555573 -1.760554 -0.020734
C -3.957380 0.355861 0.000731
C -5.248156 -0.473118 -0.016673
C -2.714373 -0.548998 -0.012712
C -6.491902 0.426963 -0.003464
C -1.444976 0.290296 0.004493
C -7.780355 -0.392147 -0.020296
C 1.372510 0.097349 0.006049
C 2.639000 -0.520974 -0.002494
C 3.775256 0.376474 0.015019
C 3.207897 -1.842469 -0.024434
C 2.409109 2.208538 0.044522
H -3.940284 1.007500 0.896089
H -3.936587 1.038879 -0.870856
H -5.272064 -1.156724 0.853934
H -5.268303 -1.125604 -0.910948
H -2.746838 -1.232379 0.861460
H -2.743365 -1.201323 -0.910422
H -6.472306 1.109939 -0.875404
H -6.475830 1.079171 0.891778
H -1.375600 0.967536 -0.869582
H -1.379023 0.936398 0.902081
H -7.850775 -1.053529 0.850814
H -7.848182 -1.021263 -0.915180
H -8.662644 0.257876 -0.009684
H 2.673724 -2.782134 -0.041655
H 5.879071 -0.150377 0.009456
H 2.258812 3.301138 0.063051


%chk=000231441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231441

0 1
S 0.009060 -1.126284 -0.015922
N 4.986696 -0.260531 0.002424
N 1.228863 1.340109 0.030434
N 3.639304 1.807147 0.039640
N 4.776364 -1.643903 -0.022407
C -3.973384 0.299279 -0.000152
C -5.326891 -0.447523 -0.015266
C -2.760180 -0.662563 -0.012810
C -6.545028 0.504190 -0.004547
C -1.433674 0.113137 0.004469
C -7.894285 -0.246530 -0.019428
C 1.427620 -0.005603 0.005817
C 2.753792 -0.530859 -0.002948
C 3.804864 0.451117 0.015077
C 3.423926 -1.800514 -0.025482
C 2.328548 2.168008 0.046070
H -3.922423 0.947399 0.899051
H -3.918287 0.975826 -0.877910
H -5.383891 -1.124165 0.862752
H -5.378810 -1.097504 -0.913518
H -2.816256 -1.335630 0.865646
H -2.810947 -1.305206 -0.914092
H -6.487154 1.180259 -0.881922
H -6.492092 1.154045 0.892729
H -1.311822 0.762230 -0.876957
H -1.315548 0.728762 0.910068
H -7.990831 -0.906206 0.863455
H -7.985912 -0.879667 -0.922048
H -8.747974 0.455630 -0.011341
H 3.004815 -2.804460 -0.043509
H 5.937754 0.102178 0.009168
H 2.116185 3.240728 0.065458


