%chk=000209396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209396

0 1
S 1.727216 -2.191935 0.442813
O 0.870731 2.653172 -0.511924
N -0.770771 -1.061919 0.211852
N -0.931547 1.293273 -0.257582
C 2.704179 0.162878 -0.030595
C 3.670179 1.272148 -0.276243
C 5.081243 0.889429 0.200451
C 5.461759 -0.535867 -0.231038
C 4.496114 -1.589332 0.352182
C 3.096991 -1.120653 0.230106
C 1.266661 0.307661 -0.060506
C 0.598137 -0.896264 0.178581
C 0.507828 1.515830 -0.295787
C -1.504013 0.033089 -0.002033
C -2.985108 -0.054581 0.015482
C -3.623596 -1.059987 -0.726321
C -3.739146 0.849550 0.780734
C -5.018830 -1.144666 -0.717270
C -5.132285 0.754914 0.785268
C -5.772405 -0.237952 0.034235
H 3.677077 1.513588 -1.361574
H 3.325324 2.204914 0.220810
H 5.817469 1.612994 -0.195835
H 5.131968 0.969734 1.304025
H 6.495717 -0.763740 0.085756
H 5.452748 -0.602072 -1.336588
H 4.739370 -1.771049 1.422129
H 4.646181 -2.559124 -0.164983
H -1.534117 2.102354 -0.439070
H -3.028980 -1.776688 -1.297264
H -3.244174 1.611615 1.382514
H -5.517435 -1.923443 -1.293923
H -5.721444 1.453250 1.378929
H -6.860140 -0.306920 0.039870


%chk=000209396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209396

0 1
S 1.695414 -2.285229 -0.178509
O 0.923926 2.762693 0.204620
N -0.791414 -1.044490 -0.091640
N -0.914136 1.322112 0.093318
C 2.715570 0.190641 0.001577
C 3.730482 1.316145 0.090761
C 5.138500 0.777509 0.442674
C 5.500398 -0.462912 -0.408583
C 4.528439 -1.640787 -0.124358
C 3.108135 -1.137938 -0.095320
C 1.278806 0.341772 0.007900
C 0.565870 -0.879148 -0.078438
C 0.500548 1.570781 0.107409
C -1.527265 0.074392 -0.007453
C -3.007677 -0.015116 -0.018294
C -3.606634 -1.305342 -0.005079
C -3.849948 1.131164 -0.041785
C -5.007480 -1.444216 -0.009082
C -5.253316 0.988314 -0.046257
C -5.838784 -0.298330 -0.028140
H 3.759989 1.853696 -0.878496
H 3.390848 2.064357 0.828470
H 5.888789 1.575956 0.291988
H 5.171284 0.501428 1.515855
H 6.537295 -0.787204 -0.201515
H 5.448359 -0.196020 -1.482422
H 4.783038 -2.108840 0.849351
H 4.651592 -2.430130 -0.890979
H -1.482652 2.169596 0.177110
H -2.946542 -2.177322 0.007891
H -3.437558 2.147301 -0.070709
H -5.453416 -2.444527 0.003310
H -5.888732 1.880163 -0.067087
H -6.928828 -0.406267 -0.030888


