%chk=000290688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290688

0 1
S -1.213170 2.532090 0.746598
O 3.911619 1.231554 1.096180
O 5.735842 -1.310691 0.460488
O 6.650330 0.655679 -0.814069
O 3.471593 3.929540 -0.112664
N 2.263376 -0.347474 0.552823
N 2.322955 -2.690698 -0.255500
N 0.142965 -3.594300 -0.858173
N -2.458262 0.312350 0.304387
N -1.853835 -2.390997 -0.742119
C 3.695774 -0.166412 0.915713
C 4.654590 -0.656930 -0.205073
C 5.238664 0.634714 -0.847846
C 4.654895 1.808035 -0.022788
C 3.696731 2.704870 -0.814000
C 1.668879 -1.521987 0.064147
C 1.244336 0.606175 0.753522
C 0.256445 -1.295077 -0.056312
C 0.015448 0.060608 0.381243
C -0.505650 -2.406266 -0.543038
C -1.229802 0.773477 0.443944
C 1.494683 -3.673505 -0.703708
C -3.438211 1.329247 0.430668
C -2.941778 2.582956 0.674656
C -4.854678 0.954472 0.297759
C -5.732562 1.786152 -0.417278
C -5.333248 -0.226786 0.888059
C -7.080132 1.437186 -0.534142
C -6.682846 -0.566822 0.768014
C -7.556978 0.263232 0.058516
H 3.902375 -0.633355 1.912122
H 4.183446 -1.333112 -0.948684
H 5.004695 0.710330 -1.933281
H 5.451599 2.405740 0.479052
H 2.728128 2.208305 -1.008212
H 4.144586 3.047270 -1.769140
H 1.479074 1.582652 1.152958
H 5.732162 -2.272811 0.243749
H 6.993850 0.188251 -0.001769
H 3.110976 3.743322 0.783112
H 1.960065 -4.637607 -0.970631
H -2.424187 -1.583843 -0.488259
H -2.325478 -3.220960 -1.072601
H -3.490811 3.497585 0.819782
H -5.362327 2.696552 -0.886645
H -4.649540 -0.872594 1.440254
H -7.760354 2.081391 -1.089603
H -7.054409 -1.480801 1.229411
H -8.608420 -0.004703 -0.033224


%chk=000290688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290688

0 1
S -1.583541 2.751438 0.770511
O 3.813805 1.628821 0.688477
O 4.807422 -1.741297 -0.381133
O 6.541157 -0.120424 0.801869
O 4.512653 4.155287 -0.369656
N 2.122152 -0.008456 0.351991
N 2.247561 -2.376293 -0.323230
N 0.082127 -3.410486 -0.759207
N -2.624993 0.359325 0.258840
N -1.954319 -2.253745 -0.551517
C 3.559391 0.194115 0.617621
C 4.486809 -0.342454 -0.511968
C 5.765528 0.500186 -0.267077
C 5.238734 1.865149 0.215996
C 5.166061 2.945659 -0.868487
C 1.555282 -1.228745 -0.027083
C 1.099001 0.912098 0.566289
C 0.141802 -1.073654 -0.065633
C -0.145090 0.304929 0.312619
C -0.599163 -2.242657 -0.458507
C -1.437766 0.949508 0.413977
C 1.435740 -3.417652 -0.678281
C -3.718068 1.236217 0.408596
C -3.359304 2.549646 0.686559
C -5.099924 0.720877 0.285055
C -6.169026 1.575603 -0.097253
C -5.380620 -0.645260 0.559397
C -7.485740 1.079448 -0.191288
C -6.697845 -1.140832 0.460847
C -7.756797 -0.281233 0.086331
H 3.827241 -0.296316 1.576611
H 4.036835 -0.094632 -1.496559
H 6.373939 0.588747 -1.189462
H 5.813063 2.214433 1.090448
H 4.641105 2.550093 -1.765470
H 6.184167 3.257873 -1.157017
H 1.336028 1.923223 0.886637
H 3.891367 -2.237213 -0.369651
H 6.399894 -1.104746 0.691769
H 3.650509 3.880617 0.037356
H 1.933460 -4.359501 -0.925630
H -2.476787 -1.383664 -0.309290
H -2.405765 -3.115898 -0.854962
H -4.005353 3.400303 0.888901
H -5.965948 2.623357 -0.346527
H -4.565643 -1.304537 0.876510
H -8.298644 1.749514 -0.491937
H -6.899753 -2.194482 0.683003
H -8.779342 -0.666288 0.009010


