%chk=000213783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213783

0 1
S 0.548314 -1.428865 -0.672197
O 0.462829 -1.660422 -2.100052
O 0.502283 -2.582582 0.220791
N -2.770489 0.096295 0.881266
N -0.747587 -0.408335 -0.228830
C -5.016355 1.173513 -0.675810
C -5.018715 -0.276911 -0.172788
C -3.585123 1.690368 -0.872065
C -4.154299 -0.422263 1.091356
C -2.746434 1.509188 0.403770
C -1.824346 -0.817863 0.389221
C 1.938957 -0.475187 -0.311194
C 2.696313 -0.752490 0.832172
C 2.315202 0.569576 -1.161168
C 4.205157 1.064454 0.277796
C 3.824531 0.011827 1.129001
C 3.442343 1.339612 -0.870067
C 5.403802 1.893457 0.599867
H -5.574118 1.240490 -1.629313
H -5.556567 1.821831 0.040645
H -6.052464 -0.606603 0.040527
H -4.641355 -0.949072 -0.968567
H -3.097835 1.151800 -1.711008
H -3.597442 2.756422 -1.163554
H -4.598032 0.159861 1.931533
H -4.119443 -1.480757 1.425408
H -1.691040 1.819521 0.222215
H -3.137790 2.143336 1.228682
H -2.035631 -1.875646 0.666690
H 2.406147 -1.578357 1.493248
H 1.730006 0.782802 -2.062044
H 4.410051 -0.209168 2.018762
H 3.730088 2.150936 -1.535034
H 5.885663 2.303262 -0.298648
H 5.124473 2.749017 1.234390
H 6.172308 1.327051 1.144099


%chk=000213783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213783

0 1
S 0.689218 -1.238669 -1.126270
O 0.883153 -1.398786 -2.730997
O 0.433743 -2.559864 -0.178952
N -2.808408 0.140364 0.190027
N -0.675960 0.038017 -0.824915
C -5.546524 1.083368 -0.090147
C -5.240782 -0.374946 0.328544
C -4.409995 1.644529 -0.978276
C -3.865471 -0.465560 1.028368
C -3.042056 1.529906 -0.269390
C -1.658903 -0.526436 -0.115806
C 2.192174 -0.332293 -0.452732
C 2.561137 -0.547664 0.883850
C 2.911700 0.495873 -1.327677
C 4.461755 0.985322 0.529167
C 3.707533 0.121022 1.366885
C 4.053459 1.154750 -0.820463
C 5.673914 1.722457 1.069511
H -6.512788 1.132443 -0.625317
H -5.649741 1.713248 0.818105
H -6.020513 -0.756479 1.014682
H -5.236992 -1.025998 -0.566998
H -4.370009 1.083965 -1.932018
H -4.597887 2.705901 -1.227148
H -3.911732 0.073568 1.999077
H -3.595387 -1.515278 1.239154
H -2.208658 1.801722 -0.937994
H -3.014104 2.206755 0.610635
H -1.584714 -1.564380 0.259883
H 1.987209 -1.237368 1.511337
H 2.599278 0.598822 -2.371687
H 4.023329 -0.035769 2.404861
H 4.636351 1.805235 -1.482777
H 6.417283 1.917494 0.277122
H 5.381586 2.702582 1.494082
H 6.171204 1.152246 1.873375


