%chk=000244444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244444

0 1
S -1.337675 1.500359 0.041559
O -1.173158 2.527118 -0.974286
O -1.238272 1.858761 1.427297
O 2.832704 2.467356 -1.116393
O -0.836059 -1.202387 0.985438
O 2.592971 1.214616 0.754889
N -0.006129 0.399743 -0.347529
C 1.080871 0.928772 -1.187069
C -2.768148 0.611902 -0.290185
C 0.083117 -0.877221 0.255016
C 1.237406 -1.759701 -0.088476
C -3.400781 0.769651 -1.531916
C -3.324543 -0.231582 0.677580
C 2.215034 1.511753 -0.351485
C -4.581248 0.079385 -1.806844
C -4.510218 -0.923039 0.401971
C 2.422622 -1.678854 0.651521
C 1.095723 -2.705424 -1.113507
C -5.135233 -0.768480 -0.837441
C 3.476488 -2.550032 0.357761
C 2.154529 -3.569425 -1.402018
C 3.343310 -3.492420 -0.666223
C 3.934749 3.227922 -0.519362
C 3.379872 4.257467 0.440222
H 1.503804 0.136883 -1.852670
H 0.677329 1.729760 -1.872711
H -2.973075 1.443498 -2.283704
H -2.826931 -0.363542 1.649423
H -5.073821 0.201244 -2.770037
H -4.938646 -1.582659 1.155854
H 2.525734 -0.928332 1.444560
H 0.164046 -2.771958 -1.674405
H -6.058774 -1.307825 -1.053449
H 4.400664 -2.491747 0.932004
H 2.052577 -4.307553 -2.196011
H 4.165522 -4.171140 -0.891428
H 4.389069 3.671034 -1.424461
H 4.626676 2.517823 -0.034053
H 2.949498 3.781033 1.335263
H 2.574844 4.846689 -0.021169
H 4.154349 4.955152 0.778176


%chk=000244444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244444

0 1
S -1.117258 1.213314 0.537725
O -0.773257 2.613959 -0.224210
O -1.134930 1.140096 2.148359
O 2.664359 2.670010 -1.160571
O -0.819593 -1.705075 0.787845
O 2.702567 1.463222 0.838579
N 0.293661 0.086441 -0.161096
C 1.229540 0.773644 -1.044550
C -2.757886 0.585332 -0.175167
C 0.220622 -1.255694 0.215049
C 1.386596 -2.150069 -0.112495
C -3.209872 1.203351 -1.352139
C -3.466195 -0.392271 0.538907
C 2.259628 1.650313 -0.316178
C -4.465765 0.790568 -1.855970
C -4.723115 -0.778924 0.019718
C 2.727163 -1.790328 0.181031
C 1.096715 -3.435323 -0.639900
C -5.215308 -0.195659 -1.172707
C 3.769313 -2.709417 -0.073993
C 2.144459 -4.339731 -0.910996
C 3.483967 -3.977586 -0.630678
C 3.634952 3.665527 -0.595523
C 2.882840 4.750624 0.178533
H 1.768918 0.012760 -1.639148
H 0.680351 1.425740 -1.745802
H -2.619052 1.988740 -1.833711
H -3.046824 -0.835935 1.444788
H -4.856228 1.246670 -2.771454
H -5.310085 -1.538933 0.545100
H 2.943383 -0.824015 0.650325
H 0.053046 -3.713220 -0.819868
H -6.188737 -0.506296 -1.567490
H 4.801410 -2.437473 0.172491
H 1.918188 -5.326975 -1.328192
H 4.296663 -4.684396 -0.832017
H 4.144320 4.061409 -1.488211
H 4.351510 3.127526 0.050003
H 2.379983 4.325960 1.062950
H 2.124213 5.234273 -0.459483
H 3.596534 5.522438 0.521850


