%chk=000285719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285719

0 1
S 3.619725 1.711080 0.622343
O -2.185682 2.394913 -0.994708
O 3.501099 -2.895828 0.715212
N -0.787508 1.738324 0.688578
N 1.835419 0.132952 -0.386641
N 1.913624 -2.685606 -0.891717
C 1.203559 2.544951 -0.606555
C 0.138289 2.867211 0.466474
C 2.068989 1.414247 -0.212533
C -1.856496 1.530702 -0.200170
C -2.570828 0.226534 -0.024154
C 2.879609 -0.668752 0.132201
C 3.916642 0.006735 0.714274
C -3.961966 0.235832 0.141235
C -1.867176 -0.985028 -0.060853
C -4.648472 -0.972953 0.288708
C -2.560370 -2.189599 0.083577
C -3.948494 -2.183536 0.261827
C 2.803648 -2.161190 0.032947
H 0.682212 2.305390 -1.569159
H 1.797159 3.457930 -0.826224
H 0.617468 3.131354 1.434248
H -0.451394 3.756695 0.129115
H -0.416140 0.959928 1.230234
H 4.799857 -0.415377 1.175889
H -4.502018 1.184552 0.146363
H -0.785644 -0.990466 -0.211160
H -5.729632 -0.970223 0.420603
H -2.019373 -3.134118 0.058760
H -4.485486 -3.124646 0.377117
H 1.318308 -2.108696 -1.464897
H 1.835872 -3.684814 -1.000331


%chk=000285719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285719

0 1
S 3.830456 1.753945 0.431777
O -2.168689 2.379391 -0.898037
O 3.667282 -2.943943 0.176184
N -0.694890 1.681370 0.752584
N 1.869780 0.204108 -0.487554
N 1.578160 -2.522294 -0.795066
C 1.224630 2.635347 -0.571305
C 0.182095 2.840066 0.578032
C 2.148508 1.483836 -0.309957
C -1.792388 1.484731 -0.073749
C -2.516630 0.171481 0.074681
C 2.912278 -0.649735 -0.075556
C 4.033025 -0.018777 0.439260
C -3.873852 0.118170 -0.332650
C -1.889339 -1.007036 0.559974
C -4.603329 -1.084079 -0.227930
C -2.619831 -2.211822 0.659623
C -3.979854 -2.251697 0.273668
C 2.770633 -2.135657 -0.213239
H 0.665771 2.446132 -1.504849
H 1.796298 3.571387 -0.701409
H 0.697497 3.049518 1.531522
H -0.446597 3.706807 0.311140
H -0.415361 0.945615 1.400608
H 4.941820 -0.494248 0.800760
H -4.329460 1.029560 -0.733483
H -0.824100 -1.009875 0.824004
H -5.653654 -1.113912 -0.537587
H -2.127466 -3.117345 1.030959
H -4.545804 -3.186421 0.353846
H 0.914898 -1.812944 -1.112834
H 1.402912 -3.513179 -0.952814


