%chk=000233311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233311

0 1
S -2.811686 -1.202003 -0.433416
O 4.051657 0.524918 -0.708388
O 4.042167 3.262837 1.275898
O 4.642960 0.185382 2.689523
O 4.531267 -2.289392 -0.464237
N 1.767470 1.030814 -0.149618
N -0.511788 1.294632 0.103495
N 1.766911 -1.377303 -0.853233
N -0.530284 -2.321667 -0.921245
N 1.372141 -3.616031 -1.486315
C 3.680785 1.894651 1.230837
C 3.171157 1.508745 -0.193661
C 4.882407 0.949194 1.508757
C 4.911949 -0.046791 0.328117
C 4.430735 -1.458724 0.691737
C 1.189843 -0.203174 -0.473965
C 0.665356 1.905559 0.188369
C -0.243788 -0.023334 -0.305355
C -1.067657 -1.141877 -0.556232
C 0.861458 -2.404619 -1.062651
C -3.335474 0.466384 0.070806
C -4.821398 0.352483 0.147106
C -5.440458 -0.020164 1.351579
C -5.609323 0.619054 -0.984717
C -6.832229 -0.120036 1.421018
C -7.000557 0.517177 -0.908204
C -7.614477 0.148747 0.293237
H 2.900096 1.809452 2.023659
H 3.227470 2.353575 -0.929488
H 5.831130 1.514828 1.619409
H 5.894189 -0.086538 -0.195511
H 3.393685 -1.455680 1.073658
H 5.100372 -1.931838 1.435341
H 4.766652 3.472806 0.644837
H 4.777517 0.741038 3.489702
H 0.839181 2.934286 0.475494
H 3.907160 -1.932820 -1.159984
H -2.995165 1.230575 -0.658622
H -2.871485 0.757658 1.035926
H 0.761918 -4.421241 -1.510026
H 2.366819 -3.786859 -1.406316
H -4.836348 -0.235374 2.231783
H -5.136655 0.901595 -1.924402
H -7.308135 -0.409806 2.356524
H -7.607642 0.723984 -1.788192
H -8.698201 0.069897 0.349963


%chk=000233311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233311

0 1
S -2.870010 -1.349091 -0.343312
O 3.932490 0.708386 -0.836684
O 3.531637 2.452604 2.381148
O 5.922556 0.328187 2.228726
O 4.289573 -2.088714 -0.885879
N 1.678829 1.065005 -0.034066
N -0.604872 1.321806 0.057057
N 1.776192 -1.372479 -0.485246
N -0.441018 -2.408878 -0.572688
N 1.527989 -3.669528 -0.832819
C 3.723337 1.311043 1.492427
C 3.089981 1.475108 0.079096
C 5.207024 1.006691 1.160306
C 5.099669 0.103321 -0.085180
C 4.859983 -1.391112 0.251766
C 1.136005 -0.206348 -0.247049
C 0.577930 1.937460 0.134480
C -0.286868 -0.035146 -0.182801
C -1.062158 -1.217453 -0.365054
C 0.931709 -2.453128 -0.624180
C -3.504158 0.453641 -0.072234
C -5.010751 0.400485 -0.011548
C -5.676670 0.243768 1.231938
C -5.787327 0.505130 -1.195068
C -7.087096 0.200125 1.293076
C -7.197851 0.461082 -1.136938
C -7.851899 0.309055 0.108114
H 3.271562 0.464675 2.033947
H 3.113464 2.546987 -0.214503
H 5.710392 1.964807 0.891343
H 5.946233 0.202280 -0.781910
H 4.208347 -1.484923 1.146958
H 5.829765 -1.857422 0.492056
H 3.954778 3.258502 1.983900
H 5.840141 0.863386 3.059143
H 0.717722 3.000109 0.320323
H 3.334814 -1.706583 -0.938051
H -3.126672 1.053543 -0.912065
H -3.046674 0.819829 0.856607
H 0.940778 -4.487705 -0.967956
H 2.549567 -3.725080 -0.860546
H -5.085140 0.156372 2.151219
H -5.282047 0.620978 -2.161486
H -7.588264 0.082286 2.260337
H -7.785068 0.545826 -2.058137
H -8.946224 0.276111 0.154434


