%chk=000270976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270976

0 1
S 3.471445 2.090999 1.053149
O 3.504676 2.974399 2.205289
O 4.281863 2.393050 -0.094373
N 4.086183 0.629945 1.816470
N 3.580101 -0.697067 -0.053106
N 4.217399 -3.033476 -0.160207
N -2.162580 1.137857 -0.543233
N -2.898204 0.285311 0.026803
N -6.283176 -1.165440 0.106320
N -6.326598 0.652372 -1.557784
N -4.356270 -1.714459 1.275788
N -4.456572 1.917988 -2.058592
N -8.249931 -0.611712 -1.064481
C 1.850776 1.765888 0.620380
C 1.543267 1.318429 -0.672199
C 0.825793 1.962588 1.557408
C 4.165792 -0.610635 1.193287
C -0.800918 1.260699 -0.086590
C 0.220569 1.063948 -1.033471
C -0.499148 1.708499 1.215620
C 4.784767 -1.730690 1.797205
C 4.791532 -2.935682 1.079578
C 3.634153 -1.910989 -0.686495
C 5.425459 -4.166041 1.631161
C 3.013339 -2.007578 -2.038438
C -4.228765 0.145050 -0.345324
C -4.954889 -0.908218 0.343302
C -4.991545 0.904032 -1.315339
C -6.917499 -0.366994 -0.834878
H 4.514822 0.708299 2.749859
H 2.348447 1.163584 -1.403953
H 1.066685 2.325385 2.564108
H -0.023235 0.719181 -2.037019
H -1.298030 1.857482 1.940004
H 5.245672 -1.662746 2.774204
H 5.306278 -5.030495 0.955020
H 6.505715 -4.022103 1.783099
H 4.987026 -4.445499 2.599745
H 1.960642 -1.686354 -2.019210
H 3.539478 -1.358319 -2.757416
H 3.048563 -3.037498 -2.430741
H -3.382009 -1.602733 1.513847
H -4.883553 -2.440044 1.738489
H -3.485399 2.195673 -1.966484
H -5.033744 2.422557 -2.717174
H -8.756234 -0.074852 -1.750511
H -8.723545 -1.355592 -0.577315


%chk=000270976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270976

0 1
S 3.150792 1.677521 1.629945
O 3.008039 2.333310 3.114330
O 4.041676 2.396739 0.488296
N 3.866666 0.023372 2.116069
N 3.926979 -0.804273 -0.085464
N 5.197143 -2.798849 -0.651384
N -2.421840 0.637340 -0.558368
N -3.442699 0.623100 0.302511
N -7.092324 0.192362 0.387553
N -6.385106 0.000283 -1.969179
N -5.527645 0.575469 2.082687
N -4.117087 0.201794 -2.547984
N -8.617480 -0.189105 -1.329957
C 1.433400 1.304560 0.976156
C 1.269496 1.057836 -0.396383
C 0.372443 1.354925 1.899490
C 4.347678 -0.910507 1.209762
C -1.148330 0.870444 0.033090
C -0.040833 0.843785 -0.862684
C -0.929463 1.131755 1.418438
C 5.212416 -1.963923 1.633279
C 5.611166 -2.901238 0.660726
C 4.377443 -1.753322 -0.965080
C 6.519842 -4.062367 0.984891
C 3.921815 -1.619313 -2.397087
C -4.704011 0.409955 -0.201213
C -5.799535 0.390089 0.757885
C -5.086688 0.199125 -1.593816
C -7.312862 0.008806 -0.959925
H 4.225469 0.075680 3.076716
H 2.138583 1.022028 -1.058041
H 0.569000 1.584162 2.951741
H -0.228911 0.648991 -1.923119
H -1.787433 1.162754 2.094250
H 5.553887 -2.043663 2.669012
H 6.021789 -5.013998 0.726815
H 7.436602 -4.006750 0.370971
H 6.801792 -4.081147 2.050541
H 2.818663 -1.657069 -2.455280
H 4.237496 -0.644254 -2.809703
H 4.348724 -2.431194 -3.003712
H -4.558359 0.723120 2.361111
H -6.291588 0.563770 2.754329
H -3.145784 0.358036 -2.198014
H -4.385256 0.057443 -3.521347
H -8.837412 -0.329393 -2.312712
H -9.339753 -0.190192 -0.614344


