%chk=000285501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285501

0 1
S 0.003162 -1.256829 0.035263
O 0.031916 -2.011858 -1.198802
O -0.022299 -1.963047 1.298995
N 1.339213 -0.174396 -0.020467
N -1.343872 -0.183383 0.056422
N -3.891658 1.077817 -0.400067
C 1.605199 0.569158 1.247211
C 2.570472 -0.741223 -0.649902
C 2.624360 1.694095 0.997675
C 3.585908 0.381391 -0.919292
C 3.912149 1.148618 0.368113
C -1.608165 0.539382 -1.222773
C -2.591726 -0.761609 0.639836
C -2.639550 1.660590 -0.974097
C -3.607787 0.372358 0.888008
H 1.974822 -0.108209 2.051029
H 0.644972 1.010372 1.601756
H 2.278302 -1.226029 -1.612916
H 3.037655 -1.524732 -0.011594
H 2.846652 2.207850 1.951035
H 2.176642 2.454900 0.327559
H 3.174290 1.078721 -1.676053
H 4.504437 -0.049582 -1.358613
H 4.609925 1.978349 0.150143
H 4.435832 0.486661 1.084053
H -1.986780 -0.147707 -2.015847
H -0.656014 0.987065 -1.587415
H -2.339705 -1.259980 1.605622
H -3.049307 -1.525763 -0.030505
H -2.186657 2.442484 -0.326153
H -2.901684 2.139015 -1.942980
H -4.562614 -0.063472 1.255015
H -3.222499 1.049499 1.681230
H -4.569091 1.830494 -0.232090


%chk=000285501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285501

0 1
S -0.002826 -1.362585 0.014776
O 0.069996 -2.197054 -1.385644
O -0.071670 -2.172711 1.430319
N 1.384333 -0.093849 -0.076795
N -1.397438 -0.104209 0.088445
N -3.872873 1.120037 -0.390376
C 1.640037 0.499267 1.270183
C 2.611361 -0.697501 -0.684796
C 2.629266 1.673207 1.074061
C 3.604516 0.459706 -0.936104
C 3.928893 1.199876 0.382383
C -1.657898 0.487944 -1.256899
C -2.628239 -0.698230 0.695916
C -2.656039 1.648478 -1.034123
C -3.606279 0.478497 0.911096
H 2.064892 -0.251110 1.972481
H 0.679119 0.858170 1.675799
H 2.322833 -1.194849 -1.625071
H 3.076961 -1.451382 -0.010353
H 2.846644 2.118150 2.063856
H 2.139248 2.450454 0.457225
H 3.156650 1.163537 -1.663167
H 4.522874 0.043893 -1.392473
H 4.592789 2.062407 0.185599
H 4.480090 0.516495 1.060508
H -2.093723 -0.251514 -1.959236
H -0.705284 0.869864 -1.660774
H -2.355562 -1.169403 1.654226
H -3.104104 -1.448251 0.030007
H -2.141621 2.431977 -0.426527
H -2.917822 2.084193 -2.015438
H -4.551496 0.083609 1.325577
H -3.154636 1.172448 1.660479
H -4.656494 1.781440 -0.375762


