%chk=000282812.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282812

0 1
S 0.232221 0.292110 -1.129871
S -1.597046 -1.690329 2.313107
O 3.525119 -0.388564 0.310397
O 2.300599 4.172783 0.252880
O 2.286059 4.707669 -1.924648
O 2.914728 -0.253823 -1.909314
N 2.925378 1.616580 -0.490752
C -1.155844 -0.238856 -0.016797
C -2.079929 0.953836 0.086323
C -1.751939 -1.437880 -0.736266
C -0.586100 -0.692331 1.277685
C 0.469831 2.066674 -0.798855
C 1.899915 2.361024 -1.254778
C -2.251643 1.650152 1.290501
C -0.909610 -2.391264 -1.330751
C -2.751377 1.403644 -1.066944
C -3.142475 -1.627304 -0.779519
C 0.630139 -0.512049 1.860561
C 4.013238 -1.805049 0.246963
C 0.750095 -1.153042 3.153144
C -3.086344 2.772222 1.344019
C -1.456478 -3.495141 -1.992022
C -3.581587 2.522611 -1.008930
C -3.682681 -2.736194 -1.435481
C 2.186979 3.855742 -1.081005
C -0.367482 -1.824228 3.537448
C 2.847658 -2.686815 -0.168688
C 4.425873 -2.002453 1.702625
C 5.185022 -1.856266 -0.720452
C 3.073462 0.242192 -0.816406
C -3.752437 3.210963 0.198230
C -2.842045 -3.669135 -2.049917
H -0.273280 2.662006 -1.366372
H 0.313282 2.303198 0.272253
H 2.027241 2.112858 -2.356494
H -1.741782 1.326098 2.199000
H 0.177769 -2.296513 -1.281088
H -2.621971 0.873579 -2.013829
H -3.812126 -0.914657 -0.296196
H 1.468505 0.027800 1.432253
H 2.982187 1.862557 0.506524
H 1.661173 -1.079666 3.732081
H -3.215846 3.301897 2.286906
H -0.796253 -4.222671 -2.462116
H -4.098546 2.861337 -1.905970
H -4.762449 -2.872894 -1.465664
H -0.541934 -2.380609 4.441758
H 1.968440 -2.520812 0.469289
H 2.537158 -2.471038 -1.204566
H 3.104102 -3.749277 -0.115014
H 3.566311 -1.900268 2.377508
H 5.165960 -1.253407 2.012355
H 4.862144 -2.994576 1.858496
H 4.860899 -1.644165 -1.752772
H 5.951919 -1.113717 -0.469643
H 5.661914 -2.841694 -0.725753
H -4.402207 4.083158 0.241622
H -3.264203 -4.528819 -2.566567
H 2.511994 5.134215 0.403912


%chk=000282812-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282812

0 1
S -0.126749 0.203105 -1.356823
S -2.158246 -1.262508 2.517147
O 4.055781 -0.488012 0.434856
O 2.639450 3.857681 0.555703
O 2.082643 4.509663 -1.606663
O 3.543281 -0.109077 -1.857400
N 2.749773 1.262576 -0.126117
C -1.609568 -0.198599 -0.117082
C -2.470756 1.074121 -0.053352
C -2.325124 -1.415846 -0.757391
C -1.029188 -0.637899 1.222458
C 0.400977 1.919920 -0.754805
C 1.932509 2.116404 -0.978668
C -2.567637 1.861381 1.120432
C -1.557974 -2.522221 -1.208822
C -3.134212 1.527173 -1.227858
C -3.738871 -1.506726 -0.802436
C 0.284197 -0.731208 1.657088
C 4.881390 -1.744201 0.181899
C 0.436983 -1.259331 2.993094
C -3.325809 3.056671 1.130203
C -2.187044 -3.675429 -1.721258
C -3.889438 2.716144 -1.219547
C -4.369615 -2.668052 -1.304402
C 2.232201 3.604630 -0.763180
C -0.763254 -1.589412 3.596424
C 3.979947 -2.821732 -0.453632
C 5.308339 -2.132239 1.607974
C 6.097051 -1.391441 -0.698046
C 3.462178 0.189895 -0.637630
C -3.993186 3.487755 -0.035796
C -3.598608 -3.754879 -1.771548
H -0.170367 2.677155 -1.316333
H 0.159447 2.000642 0.317569
H 2.185340 1.879821 -2.027932
H -2.057139 1.541159 2.033910
H -0.464204 -2.481402 -1.152519
H -3.035179 0.948826 -2.152734
H -4.352348 -0.675973 -0.440528
H 1.123919 -0.452835 1.017725
H 2.825000 1.473777 0.869927
H 1.407629 -1.390430 3.478110
H -3.390445 3.647886 2.050667
H -1.576843 -4.514066 -2.074805
H -4.391131 3.046542 -2.135936
H -5.463952 -2.720862 -1.327164
H -0.948095 -2.005479 4.585700
H 3.084868 -2.992227 0.171268
H 3.660078 -2.521035 -1.463647
H 4.538331 -3.773040 -0.525309
H 4.423138 -2.325689 2.238732
H 5.898773 -1.322905 2.071106
H 5.926033 -3.047422 1.579006
H 5.778192 -1.092711 -1.708766
H 6.675271 -0.567195 -0.243902
H 6.758944 -2.273012 -0.780201
H -4.579506 4.413372 -0.028695
H -4.088597 -4.652785 -2.164268
H 2.793121 4.832980 0.678597


