%chk=000284442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284442

0 1
I -0.994329 3.533923 0.001060
S 2.145973 1.674843 -0.000649
O 2.273534 2.378857 1.259767
O 2.273542 2.378278 -1.261401
O -6.050811 -1.720912 1.081975
O -6.050933 -1.720758 -1.081602
N -5.565315 -1.434069 0.000179
C 3.241761 0.334658 -0.000355
C 3.705323 -0.192099 -1.210548
C 3.703921 -0.192777 1.210094
C 0.579899 0.869211 -0.000540
C 5.047277 -1.810868 0.000086
C -1.886615 0.711752 0.000131
C 4.597064 -1.264189 -1.215011
C 4.595637 -1.264860 1.214987
C -0.607601 1.446802 0.000102
C -2.489768 0.362960 1.220660
C -2.489874 0.363092 -1.220380
C 6.013693 -2.946545 0.000480
C -4.287714 -0.685442 0.000161
C -3.695084 -0.336893 1.223832
C -3.695199 -0.336753 -1.223522
H 3.376123 0.245407 -2.160545
H 3.373659 0.244212 2.159946
H 0.637847 -0.229536 -0.001162
H 4.953443 -1.669718 -2.160193
H 4.950942 -1.670948 2.160334
H -2.020643 0.650097 2.164549
H -2.020827 0.650321 -2.164280
H 7.050642 -2.572587 0.005460
H 5.904848 -3.594575 0.881464
H 5.911609 -3.589774 -0.884800
H -4.183111 -0.615531 2.165307
H -4.183312 -0.615278 -2.164987


%chk=000284442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284442

0 1
I -0.941051 3.647042 0.002611
S 2.185119 1.774594 0.000397
O 2.371149 2.547750 1.428743
O 2.370779 2.548173 -1.427779
O -6.187607 -1.770370 1.139767
O -6.184587 -1.774069 -1.141281
N -5.668474 -1.461539 -0.000575
C 3.355466 0.285431 0.000023
C 3.787983 -0.216917 -1.237056
C 3.788007 -0.217557 1.236860
C 0.491424 0.889061 0.000355
C 5.148809 -1.863773 -0.000542
C -1.990717 0.743946 0.000720
C 4.689376 -1.304773 -1.223378
C 4.689381 -1.305377 1.222611
C -0.706613 1.505018 0.001110
C -2.604712 0.382100 1.230103
C -2.601506 0.378193 -1.229099
C 6.143559 -3.009881 -0.000718
C -4.394821 -0.696570 -0.000129
C -3.811172 -0.343129 1.235922
C -3.807972 -0.347043 -1.235762
H 3.452084 0.244704 -2.171671
H 3.452116 0.243583 2.171713
H 0.622144 -0.199242 -0.000457
H 5.044594 -1.719893 -2.173497
H 5.044620 -1.720995 2.172512
H -2.135028 0.674320 2.174437
H -2.129357 0.667430 -2.173122
H 7.182210 -2.626345 0.003501
H 6.027271 -3.649586 0.891169
H 6.032639 -3.644746 -0.896706
H -4.302558 -0.636200 2.167204
H -4.296952 -0.643037 -2.167385


