%chk=000258942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258942

0 1
S -2.163699 3.810485 -0.348140
P -1.338108 2.118623 -0.186688
O -2.545501 0.995269 0.048586
N -0.236470 1.929968 1.133983
N -0.432836 1.577416 -1.558140
C 1.248372 0.404477 -0.150844
C 0.842585 1.014125 1.091341
C 0.658399 0.683305 -1.436752
C 2.344361 -0.507890 -0.111303
C 1.504333 0.734126 2.280593
C 1.149102 0.096052 -2.596471
C 2.990380 -0.795712 1.130361
C 2.812140 -1.115883 -1.316901
C 2.582384 -0.181269 2.288753
C 2.231883 -0.810869 -2.523601
C -2.201987 -0.349650 0.199320
C -2.004639 -0.849115 1.492818
C -2.182098 -1.166939 -0.937825
C -1.767425 -2.218143 1.639664
C -1.942761 -2.532202 -0.761917
C -1.732245 -3.055992 0.518915
H -0.367958 2.466081 2.009662
H -0.696698 1.875277 -2.513741
H 1.207302 1.203484 3.213726
H 0.713427 0.316392 -3.566473
H 3.816367 -1.503176 1.135508
H 3.642020 -1.816360 -1.258440
H 3.081405 -0.390169 3.236391
H 2.594600 -1.264588 -3.447320
H -2.048597 -0.188027 2.354656
H -2.360972 -0.747618 -1.924700
H -1.608343 -2.633596 2.634707
H -1.919707 -3.191212 -1.629785
H -1.541114 -4.120270 0.644156


%chk=000258942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258942

0 1
S -2.112369 4.002331 -0.366935
P -1.310951 2.127931 -0.188282
O -2.672585 0.987596 0.055965
N -0.182358 1.832036 1.096146
N -0.369204 1.507890 -1.507422
C 1.428597 0.425369 -0.173372
C 0.963111 0.992739 1.067298
C 0.778762 0.674341 -1.435683
C 2.613068 -0.409035 -0.154602
C 1.649273 0.742922 2.266792
C 1.285772 0.116889 -2.620667
C 3.286749 -0.647657 1.087983
C 3.101618 -0.965817 -1.381904
C 2.813141 -0.076581 2.270131
C 2.450015 -0.701575 -2.587424
C -2.431542 -0.406299 0.228145
C -2.304750 -0.930179 1.535067
C -2.400104 -1.252208 -0.904128
C -2.138816 -2.322431 1.705716
C -2.232931 -2.642580 -0.720581
C -2.098573 -3.180232 0.581240
H -0.390588 2.298201 1.981297
H -0.704211 1.754227 -2.440865
H 1.285279 1.179114 3.204437
H 0.781735 0.312058 -3.574520
H 4.180635 -1.280504 1.091530
H 3.996655 -1.596515 -1.356729
H 3.332701 -0.257296 3.217290
H 2.828109 -1.125628 -3.523887
H -2.354448 -0.252589 2.393331
H -2.522015 -0.820125 -1.902467
H -2.043512 -2.736300 2.715550
H -2.210367 -3.304705 -1.593001
H -1.967993 -4.258989 0.718649


