%chk=000229233.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229233

0 1
S 0.935869 -3.074231 -0.351042
O 1.575438 -4.198193 0.312961
O 0.501920 -3.233839 -1.715722
O 3.141180 3.354090 -0.815213
N -0.460678 -2.821099 0.670061
N -1.175321 -1.713714 0.304938
N 4.337595 1.737964 0.321378
C -2.997904 -0.192649 0.306567
C -2.843230 0.992488 1.056132
C -2.373684 -1.465489 0.754188
C 1.889097 -1.665153 -0.163307
C -4.240611 2.170283 -0.556458
C -3.472029 2.164816 0.617832
C -3.757223 -0.183507 -0.870226
C -4.379557 0.989154 -1.300908
C -2.014385 0.998809 2.298812
C 1.498563 -0.451984 -0.745892
C 3.077664 -1.730273 0.577677
C 3.479814 0.617310 0.136278
C -3.197099 -2.328357 1.662818
C 2.284621 0.689446 -0.601070
C 3.878620 -0.604866 0.732054
C -4.892764 3.436103 -1.010480
C 4.123331 3.056012 -0.173836
C 5.225248 4.011836 0.182533
H -3.357837 3.083201 1.189069
H -3.856491 -1.098300 -1.455428
H -4.965223 0.984436 -2.216754
H -0.975729 0.705169 2.075452
H -1.976608 1.982150 2.782634
H -2.397034 0.281647 3.038523
H 0.564077 -0.391514 -1.320390
H 3.381589 -2.680129 1.038085
H -0.913992 -3.608197 1.154705
H -3.434267 -3.293710 1.194077
H -4.157239 -1.855024 1.914915
H -2.680101 -2.528375 2.611178
H 1.968583 1.633878 -1.059986
H 4.798977 -0.672980 1.305277
H -4.142094 4.149606 -1.382295
H -5.613268 3.274826 -1.822625
H -5.434067 3.930855 -0.192438
H 5.189004 1.560527 0.861396
H 5.345416 4.136863 1.267180
H 4.998049 5.011924 -0.228125
H 6.196482 3.713990 -0.236025


%chk=000229233-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229233

0 1
S 0.862446 -2.674039 -0.569593
O 1.475394 -4.115208 -0.115350
O 0.119304 -2.451412 -2.000266
O 4.479412 3.320143 -1.264808
N -0.355909 -2.251802 0.923808
N -1.211431 -1.247929 0.555169
N 5.191937 1.531139 0.081039
C -3.257393 -0.011250 0.596578
C -4.099449 0.805998 1.413594
C -2.402581 -1.110604 1.125876
C 2.170069 -1.356089 -0.371233
C -4.890545 2.013297 -0.614688
C -4.896840 1.796458 0.783447
C -3.226769 0.222845 -0.809349
C -4.025989 1.211448 -1.406033
C -4.137754 0.709394 2.933014
C 2.022438 -0.148249 -1.070879
C 3.266563 -1.636662 0.461142
C 4.145199 0.588912 -0.101997
C -2.890163 -2.084802 2.185260
C 3.020205 0.838642 -0.937044
C 4.261306 -0.651754 0.588715
C -5.771205 3.072893 -1.252284
C 5.327701 2.809746 -0.478995
C 6.596405 3.551201 -0.066469
H -5.533328 2.431283 1.413767
H -2.562196 -0.397568 -1.419719
H -3.986855 1.360825 -2.491882
H -3.156784 0.434049 3.356729
H -4.431900 1.679228 3.370376
H -4.874303 -0.039092 3.285174
H 1.153632 0.013912 -1.715812
H 3.343199 -2.601510 0.971679
H -0.753983 -3.188153 1.180035
H -2.799281 -3.129485 1.815694
H -3.946352 -1.919887 2.436536
H -2.286658 -2.020313 3.111487
H 2.943667 1.791806 -1.461926
H 5.132979 -0.845588 1.226004
H -5.175612 3.774865 -1.865211
H -6.522899 2.615624 -1.923710
H -6.314344 3.661676 -0.493187
H 5.946405 1.231716 0.702678
H 7.230080 2.998751 0.648813
H 6.314102 4.518943 0.382051
H 7.190785 3.772403 -0.969728


