%chk=000233130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233130

0 1
S 0.605011 -1.944386 0.270271
O -3.446628 1.728142 0.765735
O -0.033139 -2.521176 -0.903677
O 0.724864 -2.710620 1.493448
N -0.288134 -0.544083 0.703851
C -1.190975 0.112896 -0.279819
C -2.612486 -0.396403 -0.161182
C -1.120388 1.605298 -0.030145
C -3.634503 0.404907 0.363625
C -2.215762 2.313909 0.482814
C 2.142601 -1.313136 -0.191842
C -2.952123 -1.696619 -0.567878
C 0.061861 2.320709 -0.273552
C -4.954020 -0.045563 0.525612
C -2.170696 3.690548 0.757049
C 3.099045 -1.025521 0.786219
C 2.432314 -1.096997 -1.540881
C 4.350468 -0.507438 0.428959
C -4.257351 -2.167531 -0.422736
C 0.130530 3.690309 -0.012980
C 4.641117 -0.278992 -0.936826
C -5.252604 -1.347276 0.129021
C -0.982118 4.370809 0.503671
C 3.674745 -0.579621 -1.909872
C 5.357972 -0.208467 1.490944
C 5.963862 0.272455 -1.354204
H -0.816096 -0.106239 -1.320417
H -0.633353 -0.467684 1.669460
H -2.176752 -2.347054 -1.000244
H 0.935589 1.792640 -0.658455
H -5.706441 0.616700 0.946399
H -3.049403 4.192383 1.155555
H 2.873732 -1.216062 1.841353
H 1.693356 -1.343632 -2.311203
H -4.503661 -3.179986 -0.737823
H 1.052408 4.233675 -0.207320
H -6.267510 -1.727926 0.244399
H -0.917610 5.439675 0.707350
H 3.896412 -0.414272 -2.963419
H 4.993191 -0.446272 2.499755
H 6.280534 -0.788610 1.342404
H 5.634949 0.855556 1.493809
H 6.786030 -0.396522 -1.056887
H 6.044784 0.415359 -2.440123
H 6.157878 1.248919 -0.885616


%chk=000233130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233130

0 1
S 0.598173 -1.646517 -0.296611
O -3.590460 1.758934 1.011602
O 0.029650 -1.916655 -1.808431
O 0.511888 -2.775565 0.878051
N -0.241149 -0.071633 0.331630
C -1.448325 0.354369 -0.484706
C -2.745718 -0.319257 -0.052975
C -1.521227 1.869982 -0.352204
C -3.715059 0.383946 0.704504
C -2.549270 2.488835 0.399559
C 2.394895 -1.115363 -0.465643
C -3.002744 -1.681470 -0.355040
C -0.537281 2.702564 -0.939758
C -4.883750 -0.242596 1.188157
C -2.597472 3.889092 0.581308
C 3.237483 -1.292094 0.641425
C 2.823426 -0.594569 -1.693446
C 4.598581 -0.916674 0.534143
C -4.168487 -2.321502 0.110581
C -0.573099 4.101342 -0.780335
C 5.075240 -0.368148 -0.699049
C -5.105973 -1.601421 0.893163
C -1.606317 4.694316 -0.009924
C 4.182721 -0.223489 -1.791141
C 5.529734 -1.103489 1.716775
C 6.527544 0.043321 -0.846205
H -1.203302 0.065153 -1.524757
H -0.499118 -0.304930 1.313654
H -2.271231 -2.232574 -0.957984
H 0.275167 2.232340 -1.505481
H -5.596955 0.346314 1.772472
H -3.411837 4.316595 1.173611
H 2.848117 -1.739018 1.562446
H 2.135527 -0.512593 -2.540586
H -4.344986 -3.374734 -0.129671
H 0.196606 4.727371 -1.243154
H -6.010641 -2.095452 1.263516
H -1.639118 5.780834 0.124494
H 4.558059 0.182720 -2.737132
H 4.999502 -1.537397 2.580351
H 6.373394 -1.774545 1.465740
H 5.973012 -0.141778 2.038723
H 7.209178 -0.811754 -0.675081
H 6.732503 0.443129 -1.853081
H 6.804619 0.820864 -0.108905


