%chk=000233087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233087

0 1
S 0.939525 -1.988992 0.455875
O -3.376250 1.472647 0.552545
O 0.487604 -2.567582 -0.801758
O 1.042794 -2.829369 1.633273
N -0.173414 -0.757947 0.896668
C -0.881427 0.028578 -0.148794
C -0.925637 1.469201 0.318085
C -2.272681 -0.512308 -0.403065
C -2.134752 2.094530 0.651663
C -3.416320 0.206620 -0.032963
C 2.403708 -1.127199 0.161567
C 0.254541 2.215269 0.458851
C -2.461324 -1.762622 -1.013806
C 3.110640 -0.489994 1.189370
C -2.203794 3.418346 1.116027
C -4.719979 -0.277445 -0.224934
C 2.882798 -1.090909 -1.157452
C 0.211798 3.533551 0.915060
C -3.746370 -2.264855 -1.219897
C 4.063598 -0.414557 -1.469351
C -1.014176 4.130745 1.244930
C -4.871165 -1.527115 -0.821660
C 4.302974 0.195381 0.871507
C 4.772035 0.232162 -0.435719
C 2.631756 -0.510365 2.598836
C 4.581599 -0.373088 -2.869080
H -0.294105 -0.024941 -1.109752
H -0.737649 -0.889842 1.745363
H 1.212062 1.750419 0.216641
H -1.583785 -2.350272 -1.324348
H -3.168514 3.856173 1.362111
H -5.572785 0.320372 0.086921
H 2.323692 -1.606490 -1.949526
H 1.133323 4.102154 1.017901
H -3.876196 -3.237682 -1.690910
H -1.036975 5.160010 1.603165
H -5.870542 -1.931676 -0.982681
H 4.861084 0.695532 1.661843
H 5.696751 0.762642 -0.667274
H 2.352974 -1.531870 2.930781
H 3.378977 -0.147066 3.315639
H 1.732440 0.115169 2.727984
H 5.566205 -0.857775 -2.944524
H 3.920830 -0.885357 -3.581982
H 4.696934 0.660214 -3.226127


%chk=000233087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233087

0 1
S 0.933464 -2.022433 0.207762
O -3.459784 1.515652 0.647524
O 0.542539 -2.417054 -1.335319
O 0.964360 -3.166546 1.366525
N -0.237615 -0.706772 0.862742
C -1.036486 0.021126 -0.202292
C -1.027624 1.500482 0.161446
C -2.451268 -0.527288 -0.342691
C -2.205110 2.159241 0.587921
C -3.569746 0.209256 0.120397
C 2.572353 -1.068873 0.106314
C 0.173439 2.250341 0.121457
C -2.684495 -1.810864 -0.901375
C 3.178311 -0.566127 1.280692
C -2.197692 3.516762 0.979513
C -4.879361 -0.316297 0.069298
C 3.103942 -0.952721 -1.188762
C 0.201361 3.607169 0.497868
C -3.986014 -2.346371 -0.969066
C 4.336580 -0.279138 -1.372517
C -0.991166 4.239633 0.934172
C -5.084652 -1.598842 -0.473704
C 4.411050 0.107381 1.066052
C 4.973610 0.250275 -0.220504
C 2.583855 -0.699461 2.666729
C 4.961546 -0.153834 -2.749837
H -0.486840 -0.141035 -1.150928
H -0.841902 -1.224661 1.533621
H 1.096417 1.746728 -0.190152
H -1.824941 -2.382532 -1.273005
H -3.135177 3.977474 1.304612
H -5.707639 0.291229 0.445705
H 2.560275 -1.390005 -2.033664
H 1.139970 4.169310 0.458455
H -4.145542 -3.339452 -1.401137
H -0.978826 5.292999 1.234026
H -6.097816 -2.012693 -0.517376
H 4.930540 0.526723 1.935246
H 5.927321 0.780089 -0.332478
H 2.401466 -1.758096 2.922502
H 3.255274 -0.258843 3.421539
H 1.606817 -0.184302 2.715642
H 5.761306 -0.906124 -2.890472
H 4.217560 -0.309931 -3.549099
H 5.419142 0.840820 -2.896379


